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

Systemtic Name: methyl 5-ethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[oxo(propoxy)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-propoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-propoxycarbonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

InChI

InChI=1S/C19H22N2O4S2/c1-4-10-25-17(22)12-6-8-13(9-7-12)20-19(26)21-16-15(18(23)24-3)11-14(5-2)27-16/h6-9,11H,4-5,10H2,1-3H3,(H2,20,21,26)