7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-trityloxyimino-acetyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-trityloxyiminoacetyl]amino]-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-trityloximino-acetyl]amino]-8-keto-3-methylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C32H26ClN5O8S3 MolecularWeight: 740.22554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(SC(=N6)N)Cl)SC1)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=C(SC(=N6)N)Cl)SC1)C(=O)O

InChI

InChI=1S/C32H26ClN5O8S3/c1-49(43,44)45-21-17-47-29-24(28(40)38(29)25(21)30(41)42)35-27(39)23(22-26(33)48-31(34)36-22)37-46-32(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24,29H,17H2,1H3,(H2,34,36)(H,35,39)(H,41,42)/b37-23+