methyl 2-(4-ethanoyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-(4-ethanoyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 2-(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 2-(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)-5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C27H22FN3O3S MolecularWeight: 487.545283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCSC2=C1C=C(C=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC

Isomeric SMILES

CC(=O)N1CCSC2=C1C=C(C=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC

InChI

InChI=1S/C27H22FN3O3S/c1-16(32)31-13-14-35-22-8-5-19(15-21(22)31)26-24(27(33)34-2)23(17-9-11-29-12-10-17)25(30-26)18-3-6-20(28)7-4-18/h3-12,15,30H,13-14H2,1-2H3