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

Systemtic Name: ethyl 2-[[2-oxidanylidene-2-[(5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[2-oxo-2-[(5-oxo-3-phenyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-oxo-2-[(5-oxo-3-phenyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-2-[(5-oxo-3-phenyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-keto-2-[(5-keto-3-phenyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)ON2C(CSCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)ON2C(CSCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S/c1-2-31-25(30)21(14-13-19-9-5-3-6-10-19)26-17-24(29)32-27-22(18-33-16-15-23(27)28)20-11-7-4-8-12-20/h3-12,21-22,26H,2,13-18H2,1H3