5-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-2-18(20(26)23-14-8-9-17(24)16(11-14)21(27)28)29-15-5-3-4-13(10-15)22-19(25)12-6-7-12/h3-5,8-12,18,24H,2,6-7H2,1H3,(H,22,25)(H,23,26)(H,27,28)