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

Systemtic Name: ethyl 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-acetoxy-5-oxo-2-(3-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-5-oxo-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-2-(3-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)NC2CSC(CN(C2=O)OC(=O)C)C3=CSC=C3

Isomeric SMILES

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

InChI

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