[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[(3Z,5Z,7Z)-2-oxidanylideneazocin-1-yl]ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[(3Z,5Z,7Z)-2-oxidanylideneazocin-1-yl]ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[(3Z,5Z,7Z)-2-oxoazocin-1-yl]acetate CAS Name: 2-[(3Z,5Z,7Z)-2-oxo-1-azocinyl]acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-[(3Z,5Z,7Z)-2-oxoazocin-1-yl]acetate Traditional Name: 2-[(3Z,5Z,7Z)-2-ketoazocin-1-yl]acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C(=O)C=C1)CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C\1=C\C=C/N(C(=O)\C=C1)CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C18H18N2O4S/c21-16-10-6-1-2-7-11-20(16)13-17(22)24-19-18(23)15(25)12-14-8-4-3-5-9-14/h1-11,15,25H,12-13H2,(H,19,23)/b2-1-,10-6-,11-7-