azanyl 2-[(3Z,5Z,7Z)-2-oxidanylidene-3-(3-phenyl-2-sulfanyl-propanoyl)azocin-1-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=CN(C2=O)CC(=O)ON)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)/C/2=C/C=C\C=C/N(C2=O)CC(=O)ON)S

InChI

InChI=1S/C18H18N2O4S/c19-24-16(21)12-20-10-6-2-5-9-14(18(20)23)17(22)15(25)11-13-7-3-1-4-8-13/h1-10,15,25H,11-12,19H2/b5-2-,10-6-,14-9-