O2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester O4-ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCSC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCSC3=CC=CC=C32)C

InChI

InChI=1S/C20H22N2O5S/c1-4-26-19(24)17-12(2)18(21-13(17)3)20(25)27-11-16(23)22-9-10-28-15-8-6-5-7-14(15)22/h5-8,21H,4,9-11H2,1-3H3