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

Systemtic Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(1,3-benzothiazol-2-yl)piperidino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

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