3-[1-(furan-2-ylcarbonyl)-2-methyl-5-sulfo-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(furan-2-ylcarbonyl)-2-methyl-5-sulfo-indol-3-yl]propanoic acid Openeye Name: 3-[1-(furan-2-carbonyl)-2-methyl-5-sulfo-indol-3-yl]propanoic acid CAS Name: 3-[1-[2-furanyl(oxo)methyl]-2-methyl-5-sulfo-3-indolyl]propanoic acid IUPAC Name: 3-[1-(furan-2-carbonyl)-2-methyl-5-sulfoindol-3-yl]propanoic acid Traditional Name: 3-[1-(2-furoyl)-2-methyl-5-sulfo-indol-3-yl]propionic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C17H15NO7S/c1-10-12(5-7-16(19)20)13-9-11(26(22,23)24)4-6-14(13)18(10)17(21)15-3-2-8-25-15/h2-4,6,8-9H,5,7H2,1H3,(H,19,20)(H,22,23,24)