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

Systemtic Name: 2-chloranyl-5-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-11(18(24)23-14-6-9-17(21)16(10-14)20(26)27)28-15-7-4-13(5-8-15)22-19(25)12-2-3-12/h4-12H,2-3H2,1H3,(H,22,25)(H,23,24)(H,26,27)