methyl 3-chloranyl-6-[(1-ethylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-ethylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethylpyrazol-3-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S2/c1-3-21-7-6-12(20-21)19-16(24)18-9-4-5-10-11(8-9)25-14(13(10)17)15(22)23-2/h4-8H,3H2,1-2H3,(H2,18,19,20,24)