methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C29H22N2O6S MolecularWeight: 526.55978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C29H22N2O6S/c1-36-20-13-14-21-23(16-20)38-29(30-21)31-25(18-9-11-19(12-10-18)28(35)37-2)24(26(33)27(31)34)22(32)15-8-17-6-4-3-5-7-17/h3-16,25,33H,1-2H3/b15-8+