4-chloranyl-3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(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=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-11(18(24)23-17-9-13(20(26)27)7-8-16(17)21)28-15-4-2-3-14(10-15)22-19(25)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,25)(H,23,24)(H,26,27)