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

Systemtic Name: methyl 5-ethyl-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(o-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(o-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C)C(=O)OC

InChI

InChI=1S/C16H18N2O2S2/c1-4-11-9-12(15(19)20-3)14(22-11)18-16(21)17-13-8-6-5-7-10(13)2/h5-9H,4H2,1-3H3,(H2,17,18,21)