4-methyl-3-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H20N2O6S/c1-12-2-3-13(20(27)28)10-16(12)22-18(24)11-29-15-6-4-14(5-7-15)21-17(23)8-9-19(25)26/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)