[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=CN2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC=CN2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S/c23-17(12-25-19(24)15-7-3-9-20-15)22-10-4-5-13(11-22)18-21-14-6-1-2-8-16(14)26-18/h1-3,6-9,13,20H,4-5,10-12H2/t13-/m0/s1