ethyl 4-cyano-5-[(2,4-dimethoxyphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(2,4-dimethoxyphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(2,4-dimethoxybenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(2,4-dimethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2,4-dimethoxybenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC)C#N)C

InChI

InChI=1S/C19H19N3O5S2/c1-5-27-18(24)15-10(2)13(9-20)17(29-15)22-19(28)21-16(23)12-7-6-11(25-3)8-14(12)26-4/h6-8H,5H2,1-4H3,(H2,21,22,23,28)