ethyl 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]nipecotic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S2/c1-2-28-22(27)18-6-5-13-25(14-18)21(26)17-11-9-16(10-12-17)15-29-23-24-19-7-3-4-8-20(19)30-23/h3-4,7-12,18H,2,5-6,13-15H2,1H3