[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl cyclohex-3-ene-1-carboxylate

Systemtic Name: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl cyclohex-3-ene-1-carboxylate Openeye Name: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3CCC=CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3CCC=CC3

InChI

InChI=1S/C18H19N3O3S/c1-12-7-9-14(10-8-12)19-16(22)17-21-20-15(25-17)11-24-18(23)13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3,(H,19,22)