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

Systemtic Name: butyl 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S2/c1-3-4-13-31-25(30)21(11-10-19-8-6-5-7-9-19)26-22-17-34-23(20-12-14-33-16-20)15-27(24(22)29)32-18(2)28/h5-9,12,14,16,21-23,26H,3-4,10-11,13,15,17H2,1-2H3