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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22N2O6S/c1-3-29-16-7-8-17-19(12-16)31-22(23-17)24-20(26)9-10-21(27)30-13-18(25)14-5-4-6-15(11-14)28-2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,24,26)