(diphenylmethyl) 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-prop-2-ynoxyimino-acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-7-[[(2E)-2-(2-formamido-4-thiazolyl)-1-oxo-2-prop-2-ynoxyiminoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-propargyloximino-acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H25N5O6S2 MolecularWeight: 627.6901

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC#C)C3=CSC(=N3)NC=O)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC#C)/C3=CSC(=N3)NC=O)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N5O6S2/c1-3-15-41-35-23(22-17-44-31(33-22)32-18-37)27(38)34-24-28(39)36-25(19(4-2)16-43-29(24)36)30(40)42-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h1,4-14,17-18,24,26,29H,2,15-16H2,(H,34,38)(H,32,33,37)/b35-23+