methyl 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylate Openeye Name: methyl 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)isonipecotic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-16-7-5-6-15(14-16)21(19(24)26-2)10-12-23(13-11-21)20-22-17-8-3-4-9-18(17)27-20/h3-9,14H,10-13H2,1-2H3