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

Systemtic Name: 3-[2-[(Z)-(6-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[(Z)-(6-bromo-2-oxo-indolin-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-4-methylsulfonyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[(Z)-(6-bromo-2-keto-indolin-3-ylidene)methyl]-4-mesyl-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H17BrN2O5S/c1-9-17(27(2,25)26)12(5-6-16(22)23)15(20-9)8-13-11-4-3-10(19)7-14(11)21-18(13)24/h3-4,7-8,20H,5-6H2,1-2H3,(H,21,24)(H,22,23)/b13-8-