3-ethenyl-8-oxidanylidene-4-[(2-phenoxy-3,3-diphenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethenyl-8-oxidanylidene-4-[(2-phenoxy-3,3-diphenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-[(2-phenoxy-3,3-diphenyl-propanoyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethenyl-8-oxo-4-[(1-oxo-2-phenoxy-3,3-diphenylpropyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethenyl-8-oxo-4-[(2-phenoxy-3,3-diphenylpropanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[(2-phenoxy-3,3-diphenyl-propanoyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H26N2O5S MolecularWeight: 526.60284

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(CC2=O)SC1NC(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(CC2=O)SC1NC(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H26N2O5S/c1-2-22-26(30(35)36)32-23(33)18-24(32)38-29(22)31-28(34)27(37-21-16-10-5-11-17-21)25(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h2-17,24-25,27,29H,1,18H2,(H,31,34)(H,35,36)