1-[5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-12-18(14(3)25)13(2)22-19(12)21(26)24-11-7-6-9-16(24)20-23-15-8-4-5-10-17(15)27-20/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m1/s1