ethyl 3-(cyclopropylcarbamothioylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(cyclopropylcarbamothioylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(cyclopropylcarbamothioylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5-(3,4-dimethoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyclopropylcarbamothioylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-(cyclopropylthiocarbamoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=S)NC3CC3

InChI

InChI=1S/C19H22N2O4S2/c1-4-25-18(22)17-13(21-19(26)20-12-6-7-12)10-16(27-17)11-5-8-14(23-2)15(9-11)24-3/h5,8-10,12H,4,6-7H2,1-3H3,(H2,20,21,26)