[(4-oxidanylidene-3-phenyl-5-sulfanyl-nonyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate

Systemtic Name: [(4-oxidanylidene-3-phenyl-5-sulfanyl-nonyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate Openeye Name: [(4-oxo-3-phenyl-5-sulfanyl-nonyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate CAS Name: 2-(2-oxo-5H-1-benzazepin-1-yl)acetic acid [(5-mercapto-4-oxo-3-phenylnonyl)amino] ester IUPAC Name: [(4-oxo-3-phenyl-5-sulfanylnonyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-5H-1-benzazepin-1-yl)acetic acid [(4-keto-5-mercapto-3-phenyl-nonyl)amino] ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CCNOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)C3=CC=CC=C3)S

Isomeric SMILES

CCCCC(C(=O)C(CCNOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)C3=CC=CC=C3)S

InChI

InChI=1S/C27H32N2O4S/c1-2-3-15-24(34)27(32)22(20-10-5-4-6-11-20)17-18-28-33-26(31)19-29-23-14-8-7-12-21(23)13-9-16-25(29)30/h4-12,14,16,22,24,28,34H,2-3,13,15,17-19H2,1H3