1,3-thiazol-5-ylmethyl 1-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]piperidine-4-carboxylate

Systemtic Name: 1,3-thiazol-5-ylmethyl 1-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]piperidine-4-carboxylate Openeye Name: thiazol-5-ylmethyl 1-(3-chloro-1,4-dioxo-2-naphthyl)piperidine-4-carboxylate CAS Name: 1-(3-chloro-1,4-dioxo-2-naphthalenyl)-4-piperidinecarboxylic acid 5-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-5-ylmethyl 1-(3-chloro-1,4-dioxonaphthalen-2-yl)piperidine-4-carboxylate Traditional Name: 1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotic acid thiazol-5-ylmethyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CN=CS2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CN=CS2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C20H17ClN2O4S/c21-16-17(19(25)15-4-2-1-3-14(15)18(16)24)23-7-5-12(6-8-23)20(26)27-10-13-9-22-11-28-13/h1-4,9,11-12H,5-8,10H2