[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C22H24N2O4S/c1-4-27-17-8-6-5-7-16(17)9-10-20(26)28-13-19(25)23-22-24-21-15(3)11-14(2)12-18(21)29-22/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,24,25)