ethyl 2-[(4-acetyloxy-5-oxidanylidene-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(4-acetyloxy-5-oxidanylidene-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-acetoxy-5-oxo-3-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-3-(2-thienyl)-1,4-thiazepan-6-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)NC2CSCC(N(C2=O)OC(=O)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)OC(=O)C)C3=CC=CS3

InChI

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