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

Systemtic Name: butyl 2-[[4-acetyloxy-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: butyl 2-[[4-acetoxy-2-(2-furyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-2-(2-furanyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[[4-acetyloxy-2-(furan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-2-(2-furyl)-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid butyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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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=CO3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC=CO3

InChI

InChI=1S/C25H32N2O6S/c1-3-4-14-32-25(30)20(13-12-19-9-6-5-7-10-19)26-21-17-34-23(22-11-8-15-31-22)16-27(24(21)29)33-18(2)28/h5-11,15,20-21,23,26H,3-4,12-14,16-17H2,1-2H3