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

Systemtic Name: 5-[[2-(2-aminocarbonylphenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-carbamoylphenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(2-carbamoylphenyl)thio]-3-(4-methoxyphenyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2-carbamoylphenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(2-carbamoylphenyl)thio]-3-(4-methoxyphenyl)propanoyl]amino]isophthalic acid Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22N2O7S/c1-34-18-8-6-14(7-9-18)10-21(35-20-5-3-2-4-19(20)22(26)28)23(29)27-17-12-15(24(30)31)11-16(13-17)25(32)33/h2-9,11-13,21H,10H2,1H3,(H2,26,28)(H,27,29)(H,30,31)(H,32,33)