ethyl 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-3-29-22(28)18-15-11-7-8-12-16(15)30-21(18)24-20(27)17-13(2)25-26(19(17)23)14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,24,27)