ethyl 4,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(o-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(o-tolylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C17H20N2O2S2/c1-5-21-16(20)14-11(3)12(4)23-15(14)19-17(22)18-13-9-7-6-8-10(13)2/h6-9H,5H2,1-4H3,(H2,18,19,22)