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

Systemtic Name: propyl 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-4-14-30-24(29)21-18-12-8-9-13-19(18)31-23(21)25-22(28)20-15(2)26-27(16(20)3)17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,25,28)