[4-(thiophen-2-ylcarbonylamino)phenyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O5S2/c1-2-32(28,29)25-15-17-7-4-3-6-16(17)14-20(25)23(27)30-19-11-9-18(10-12-19)24-22(26)21-8-5-13-31-21/h3-13,20H,2,14-15H2,1H3,(H,24,26)