ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-benzylsulfonylacetyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C22H22N2O7S2/c1-3-31-21(27)16-9-10-17-18(11-16)32-22(24(17)12-20(26)30-2)23-19(25)14-33(28,29)13-15-7-5-4-6-8-15/h4-11H,3,12-14H2,1-2H3