(diphenylmethyl) 3-(2-acetamido-1,3-thiazol-5-yl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(2-acetamido-1,3-thiazol-5-yl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(2-acetamidothiazol-5-yl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(2-acetamido-5-thiazolyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(2-acetamido-1,3-thiazol-5-yl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(2-acetamidothiazol-5-yl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H26N4O5S3 MolecularWeight: 630.75694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(S1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)NC1=NC=C(S1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H26N4O5S3/c1-18(36)33-31-32-16-23(43-31)22-17-42-29-25(34-24(37)15-21-13-8-14-41-21)28(38)35(29)26(22)30(39)40-27(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,16,25,27,29H,15,17H2,1H3,(H,34,37)(H,32,33,36)