ethyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxy-4-oxobutyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C19H22N2O4S2/c1-3-25-18(23)14-12-15(13-8-5-4-6-9-13)27-17(14)21-19(26)20-11-7-10-16(22)24-2/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,20,21,26)