[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H24N2O3S/c1-3-16-9-6-8-15(2)22(16)24-19(25)14-27-21(26)13-7-12-20-23-17-10-4-5-11-18(17)28-20/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,24,25)