methyl 3-chloranyl-6-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-5-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-5-methylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-5-methyl-pyrazol-4-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C17H17ClN4O2S2/c1-4-22-9(2)12(8-19-22)21-17(25)20-10-5-6-11-13(7-10)26-15(14(11)18)16(23)24-3/h5-8H,4H2,1-3H3,(H2,20,21,25)