5-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H20N2O5S/c1-11(18(24)22-14-6-9-17(23)16(10-14)20(26)27)28-15-7-4-13(5-8-15)21-19(25)12-2-3-12/h4-12,23H,2-3H2,1H3,(H,21,25)(H,22,24)(H,26,27)