[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate CAS Name: 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate Traditional Name: 2-(2-keto-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C2=CC=CC=C2C1)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1CCC(=O)N(C2=CC=CC=C2C1)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C22H24N2O4S/c25-20-13-7-5-11-17-10-4-6-12-18(17)24(20)15-21(26)28-23-22(27)19(29)14-16-8-2-1-3-9-16/h1-4,6,8-10,12,19,29H,5,7,11,13-15H2,(H,23,27)