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

Systemtic Name: butyl 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: butyl 2-[[4-acetoxy-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[(4-acetyloxy-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-2-(2-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=CC=CS3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC=CS3

InChI

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