[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H13N3O3S/c1-11-2-4-12(5-3-11)17-20-16(24-21-17)9-23-18(22)13-6-7-14-15(8-13)25-10-19-14/h2-8,10H,9H2,1H3