[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3CCC=CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C18H20N2O2S/c1-13-7-9-15(10-8-13)19-18-20-16(12-23-18)11-22-17(21)14-5-3-2-4-6-14/h2-3,7-10,12,14H,4-6,11H2,1H3,(H,19,20)/t14-/m1/s1