(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C(SN=N3)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C(SN=N3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H18ClN3O3S2/c1-12-4-6-13(7-5-12)24-17(25)9-8-14(18(24)16-3-2-10-28-16)20(26)27-11-15-19(21)29-23-22-15/h2-7,10,14,18H,8-9,11H2,1H3