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

Systemtic Name: methyl 5-ethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(methylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S3 MolecularWeight: 366.52132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC

InChI

InChI=1S/C16H18N2O2S3/c1-4-10-9-11(15(19)20-2)14(23-10)18-16(21)17-12-7-5-6-8-13(12)22-3/h5-9H,4H2,1-3H3,(H2,17,18,21)