ethyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)OC)Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C14H17ClN2O4S/c1-3-21-13(19)7-6-12(18)17-14(22)16-9-4-5-11(20-2)10(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,16,17,18,22)