methyl 2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1-methyl-pyrazole-3-carbonyl)amino]benzothiophene-3-carboxylic acid methyl ester Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC)Cl

InChI

InChI=1S/C15H12ClN3O3S/c1-19-7-9(16)12(18-19)13(20)17-14-11(15(21)22-2)8-5-3-4-6-10(8)23-14/h3-7H,1-2H3,(H,17,20)