2-(1,3-benzothiazol-7-yl)-4-methoxy-2-[(4-methylphenyl)carbonylamino]piperidine-1-carboxylic acid

Systemtic Name: 2-(1,3-benzothiazol-7-yl)-4-methoxy-2-[(4-methylphenyl)carbonylamino]piperidine-1-carboxylic acid Openeye Name: 2-(1,3-benzothiazol-7-yl)-4-methoxy-2-[(4-methylbenzoyl)amino]piperidine-1-carboxylic acid CAS Name: 2-(1,3-benzothiazol-7-yl)-4-methoxy-2-[[(4-methylphenyl)-oxomethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 2-(1,3-benzothiazol-7-yl)-4-methoxy-2-[(4-methylbenzoyl)amino]piperidine-1-carboxylic acid Traditional Name: 2-(1,3-benzothiazol-7-yl)-4-methoxy-2-(p-toluoylamino)piperidine-1-carboxylic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2(CC(CCN2C(=O)O)OC)C3=C4C(=CC=C3)N=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2(CC(CCN2C(=O)O)OC)C3=C4C(=CC=C3)N=CS4

InChI

InChI=1S/C22H23N3O4S/c1-14-6-8-15(9-7-14)20(26)24-22(12-16(29-2)10-11-25(22)21(27)28)17-4-3-5-18-19(17)30-13-23-18/h3-9,13,16H,10-12H2,1-2H3,(H,24,26)(H,27,28)