5-[[2-(2-aminocarbonylphenyl)sulfanyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-(2-aminocarbonylphenyl)sulfanyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-carbamoylphenyl)sulfanyl-3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(2-carbamoylphenyl)thio]-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2-carbamoylphenyl)sulfanyl-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(2-carbamoylphenyl)thio]-3-keto-3-(4-methoxyphenyl)propanoyl]amino]isophthalic acid Formula: C25H20N2O8S MolecularWeight: 508.4999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C25H20N2O8S/c1-35-17-8-6-13(7-9-17)20(28)21(36-19-5-3-2-4-18(19)22(26)29)23(30)27-16-11-14(24(31)32)10-15(12-16)25(33)34/h2-12,21H,1H3,(H2,26,29)(H,27,30)(H,31,32)(H,33,34)