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

Systemtic Name: ethyl 5-[(4-ethoxyphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-ethoxyphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxyphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(p-phenetylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C17H20N2O3S2/c1-4-21-13-8-6-12(7-9-13)18-17(23)19-14-10-11(3)15(24-14)16(20)22-5-2/h6-10H,4-5H2,1-3H3,(H2,18,19,23)