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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-27-17-11-9-16(10-12-17)13-14-23-20(25)15-28-22(26)8-4-7-21-24-18-5-2-3-6-19(18)29-21/h2-3,5-6,9-12H,4,7-8,13-15H2,1H3,(H,23,25)