methyl 3-chloranyl-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-12-18(13(2)26(25-12)15-7-5-4-6-8-15)21(27)24-14-9-10-16-17(11-14)30-20(19(16)23)22(28)29-3/h4-11H,1-3H3,(H,24,27)