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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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