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

Systemtic Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-carbethoxyphenyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

InChI

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