methyl 3-chloranyl-6-[2-(4-methylpyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(4-methylpyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(4-methyl-1-pyrazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(4-methylpyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CN(N=C1)CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-9-6-18-20(7-9)8-13(21)19-10-3-4-11-12(5-10)24-15(14(11)17)16(22)23-2/h3-7H,8H2,1-2H3,(H,19,21)