[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(5-oxidanyl-1,3-dihydroisoindol-2-yl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(5-oxidanyl-1,3-dihydroisoindol-2-yl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] 3-(5-hydroxyisoindolin-2-yl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(5-hydroxy-1,3-dihydroisoindol-2-yl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino] ester IUPAC Name: [[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino] 3-(5-hydroxy-1,3-dihydroisoindol-2-yl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(5-hydroxyisoindolin-2-yl)-5,8-diketo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] ester Formula: C40H34N6O7S2 MolecularWeight: 774.86396

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NOC(=O)C5=C(CS(=O)C6N5C(=O)C6)N7CC8=C(C7)C=C(C=C8)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NOC(=O)C5=C(CS(=O)C6N5C(=O)C6)N7CC8=C(C7)C=C(C=C8)O

InChI

InChI=1S/C40H34N6O7S2/c1-52-43-35(31-23-54-39(41-31)42-40(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29)37(49)44-53-38(50)36-32(24-55(51)34-20-33(48)46(34)36)45-21-25-17-18-30(47)19-26(25)22-45/h2-19,23,34,47H,20-22,24H2,1H3,(H,41,42)(H,44,49)/b43-35+