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

Systemtic Name: ethyl 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-2-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-acetoxy-5-oxo-2-(2-thienyl)-1,4-thiazepan-2-yl]amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-2-thiophen-2-yl-1,4-thiazepan-2-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-5-oxo-2-thiophen-2-yl-1,4-thiazepan-2-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-2-(2-thienyl)-1,4-thiazepan-2-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2(CN(C(=O)CCS2)OC(=O)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2(CN(C(=O)CCS2)OC(=O)C)C3=CC=CS3

InChI

InChI=1S/C23H28N2O5S2/c1-3-29-22(28)19(12-11-18-8-5-4-6-9-18)24-23(20-10-7-14-31-20)16-25(30-17(2)26)21(27)13-15-32-23/h4-10,14,19,24H,3,11-13,15-16H2,1-2H3