[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H23N3O4S2/c1-13-22-16(11-28-13)12-29-17-4-2-15(3-5-17)20(26)27-10-18(24)23-8-6-14(7-9-23)19(21)25/h2-5,11,14H,6-10,12H2,1H3,(H2,21,25)