propan-2-yl 5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S/c1-13(2)29-23(28)19-14(3)20(24-15(19)4)22(27)26-11-7-8-16(12-26)21-25-17-9-5-6-10-18(17)30-21/h5-6,9-10,13,16,24H,7-8,11-12H2,1-4H3/t16-/m1/s1