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

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-3-methyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-ethyl-3-methyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-4-21-8-12(9(2)20-21)16(22)19-10-5-6-11-13(7-10)25-15(14(11)18)17(23)24-3/h5-8H,4H2,1-3H3,(H,19,22)