4-[2-azanyl-1-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-azanyl-1-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-amino-1-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-amino-1-(1,3-benzothiazol-2-yl)-2-oxoethyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-amino-1-(1,3-benzothiazol-2-yl)-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-amino-1-(1,3-benzothiazol-2-yl)-2-keto-ethyl]-4-phenyl-piperidine-1-carboxylic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(C3=NC4=CC=CC=C4S3)C(=O)N)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(C3=NC4=CC=CC=C4S3)C(=O)N)C(=O)O

InChI

InChI=1S/C21H21N3O3S/c22-18(25)17(19-23-15-8-4-5-9-16(15)28-19)21(14-6-2-1-3-7-14)10-12-24(13-11-21)20(26)27/h1-9,17H,10-13H2,(H2,22,25)(H,26,27)