methyl 5-(3-chlorophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(3-chlorophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(3-chlorophenyl)-4-(4-pyridyl)-2-thiochroman-6-yl-1H-pyrrole-3-carboxylate CAS Name: 5-(3-chlorophenyl)-2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-chlorophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-chlorophenyl)-4-(4-pyridyl)-2-thiochroman-6-yl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)SCCC5

Isomeric SMILES

COC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)SCCC5

InChI

InChI=1S/C26H21ClN2O2S/c1-31-26(30)23-22(16-9-11-28-12-10-16)24(18-4-2-6-20(27)15-18)29-25(23)19-7-8-21-17(14-19)5-3-13-32-21/h2,4,6-12,14-15,29H,3,5,13H2,1H3