[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-10-22-21-23-18(15-28-21)20(26)27-14-19(25)24-11-8-17(9-12-24)13-16-6-4-3-5-7-16/h2-7,15,17H,1,8-14H2,(H,22,23)