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

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H20N2O4S2/c1-5-11-9-12(16(20)23-4)15(25-11)19-17(24)18-10-6-7-13(21-2)14(8-10)22-3/h6-9H,5H2,1-4H3,(H2,18,19,24)