methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C26H20N2O6S2 MolecularWeight: 520.5768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C26H20N2O6S2/c1-3-34-16-10-11-17-19(13-16)36-26(27-17)28-21(14-6-8-15(9-7-14)25(32)33-2)20(23(30)24(28)31)22(29)18-5-4-12-35-18/h4-13,21,30H,3H2,1-2H3