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

Systemtic Name: methyl 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-12-17(21(26)27-3)13(2)22-18(12)20(25)24-10-6-7-14(11-24)19-23-15-8-4-5-9-16(15)28-19/h4-5,8-9,14,22H,6-7,10-11H2,1-3H3/t14-/m0/s1