ethyl 4-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[4-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]-3-keto-butyric acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H23NO6S/c1-4-28-19(24)12-15(23)13-29-16-10-8-14(9-11-16)22-21(25)20-17(26-2)6-5-7-18(20)27-3/h5-11H,4,12-13H2,1-3H3,(H,22,25)