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

Systemtic Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[m-anisyl(methyl)amino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-24(14-16-7-5-8-17(13-16)27-2)21(25)15-28-22(26)12-6-11-20-23-18-9-3-4-10-19(18)29-20/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3