ethyl 2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-naphthalen-2-yl-butanoate

Systemtic Name: ethyl 2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-naphthalen-2-yl-butanoate Openeye Name: ethyl 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(2-naphthyl)butanoate CAS Name: 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(2-naphthalenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-naphthalen-2-ylbutanoate Traditional Name: 2-(2-amino-5-keto-3-phenyl-1,4-thiazepan-2-yl)-4-(2-naphthyl)butyric acid ethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC2=CC=CC=C2C=C1)C3(C(NC(=O)CCS3)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC2=CC=CC=C2C=C1)C3(C(NC(=O)CCS3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H30N2O3S/c1-2-32-26(31)23(15-13-19-12-14-20-8-6-7-11-22(20)18-19)27(28)25(21-9-4-3-5-10-21)29-24(30)16-17-33-27/h3-12,14,18,23,25H,2,13,15-17,28H2,1H3,(H,29,30)