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

Systemtic Name: methyl 2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-carbethoxyphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-4-13-10-14(17(22)23-3)15(26-13)20-18(25)19-12-8-6-7-11(9-12)16(21)24-5-2/h6-10H,4-5H2,1-3H3,(H2,19,20,25)