propan-2-yl 2-[7-oxidanylidene-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]-2H-azepin-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[7-oxidanylidene-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]-2H-azepin-1-yl]ethanoate Openeye Name: isopropyl 2-[7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]-2H-azepin-1-yl]acetate CAS Name: 2-[6-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-7-oxo-2H-azepin-1-yl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[7-oxo-6-[(3-phenyl-2-sulfanylpropanoyl)amino]-2H-azepin-1-yl]acetate Traditional Name: 2-[7-keto-6-[(2-mercapto-3-phenyl-propanoyl)amino]-2H-azepin-1-yl]acetic acid isopropyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1CC=CC=C(C1=O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC(C)OC(=O)CN1CC=CC=C(C1=O)NC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C20H24N2O4S/c1-14(2)26-18(23)13-22-11-7-6-10-16(20(22)25)21-19(24)17(27)12-15-8-4-3-5-9-15/h3-10,14,17,27H,11-13H2,1-2H3,(H,21,24)