methyl 3-(2-pyrazol-1-ylethanoylamino)-5-[(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(2-pyrazol-1-ylethanoylamino)-5-[(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[(2-pyrazol-1-ylacetyl)amino]-5-[(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonylamino)methyl]benzoate CAS Name: 3-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]-5-[[[oxo(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrazol-1-ylacetyl)amino]-5-[(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonylamino)methyl]benzoate Traditional Name: 3-[(2-pyrazol-1-ylacetyl)amino]-5-[(4,5,6,7-tetrahydroisobenzothiophene-1-carbonylamino)methyl]benzoic acid methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C23H24N4O4S/c1-31-23(30)17-9-15(10-18(11-17)26-20(28)13-27-8-4-7-25-27)12-24-22(29)21-19-6-3-2-5-16(19)14-32-21/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,24,29)(H,26,28)