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

Systemtic Name: ethyl 2-[[2-[(3-methyl-5-oxidanylidene-1,4-thiazepan-4-yl)oxy]-2-oxidanylidene-ethyl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[2-[(3-methyl-5-oxo-1,4-thiazepan-4-yl)oxy]-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-[(3-methyl-5-oxo-1,4-thiazepan-4-yl)oxy]-2-oxoethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3-methyl-5-oxo-1,4-thiazepan-4-yl)oxy]-2-oxoethyl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-keto-2-[(5-keto-3-methyl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-3-26-20(25)17(10-9-16-7-5-4-6-8-16)21-13-19(24)27-22-15(2)14-28-12-11-18(22)23/h4-8,15,17,21H,3,9-14H2,1-2H3