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

Systemtic Name: 2-(1,3-benzothiazol-7-yl)-2-[(4-fluorophenyl)carbonylamino]-4-methoxy-piperidine-1-carboxylic acid Openeye Name: 2-(1,3-benzothiazol-7-yl)-2-[(4-fluorobenzoyl)amino]-4-methoxy-piperidine-1-carboxylic acid CAS Name: 2-(1,3-benzothiazol-7-yl)-2-[[(4-fluorophenyl)-oxomethyl]amino]-4-methoxy-1-piperidinecarboxylic acid IUPAC Name: 2-(1,3-benzothiazol-7-yl)-2-[(4-fluorobenzoyl)amino]-4-methoxypiperidine-1-carboxylic acid Traditional Name: 2-(1,3-benzothiazol-7-yl)-2-[(4-fluorobenzoyl)amino]-4-methoxy-piperidine-1-carboxylic acid Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C(C1)(C2=C3C(=CC=C2)N=CS3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1CCN(C(C1)(C2=C3C(=CC=C2)N=CS3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H20FN3O4S/c1-29-15-9-10-25(20(27)28)21(11-15,16-3-2-4-17-18(16)30-12-23-17)24-19(26)13-5-7-14(22)8-6-13/h2-8,12,15H,9-11H2,1H3,(H,24,26)(H,27,28)