methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S2/c1-3-29-20(26)14-24-17-10-9-15(21(27)28-2)13-18(17)31-22(24)23-19(25)11-12-30-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3