3-[2-[(Z)-(6-methoxy-2-oxidanylidene-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-[(Z)-(6-methoxy-2-oxidanylidene-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[(Z)-(6-methoxy-2-oxo-indolin-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[(Z)-(2-keto-6-methoxy-indolin-3-ylidene)methyl]-4-mesyl-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=C(C=C3)OC)NC2=O)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(N1)/C=C\2/C3=C(C=C(C=C3)OC)NC2=O)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O6S/c1-10-18(28(3,25)26)13(6-7-17(22)23)16(20-10)9-14-12-5-4-11(27-2)8-15(12)21-19(14)24/h4-5,8-9,20H,6-7H2,1-3H3,(H,21,24)(H,22,23)/b14-9-