[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-15-5-4-6-16(13-15)26-12-11-22-19(24)14-27-21(25)10-9-20-23-17-7-2-3-8-18(17)28-20/h2-8,13H,9-12,14H2,1H3,(H,22,24)