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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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