ethyl 2-[(4-acetyloxy-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(4-acetyloxy-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-acetoxy-2-(2-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-2-(2-naphthyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H32N2O5S/c1-3-35-29(34)25(16-13-21-9-5-4-6-10-21)30-26-19-37-27(18-31(28(26)33)36-20(2)32)24-15-14-22-11-7-8-12-23(22)17-24/h4-12,14-15,17,25-27,30H,3,13,16,18-19H2,1-2H3