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

Systemtic Name: ethyl 2-[[4-acetyloxy-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-3-29-23(28)18(12-11-17-8-5-4-6-9-17)24-19-15-32-21(20-10-7-13-30-20)14-25(22(19)27)31-16(2)26/h4-10,13,18-19,21,24H,3,11-12,14-15H2,1-2H3