ethyl (E)-4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[(3-phenethyloxyphenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S/c1-2-26-20(25)12-11-19(24)23-21(28)22-17-9-6-10-18(15-17)27-14-13-16-7-4-3-5-8-16/h3-12,15H,2,13-14H2,1H3,(H2,22,23,24,28)/b12-11+