3-(butanoylamino)-4-phenylsulfanyl-benzoic acid

Systemtic Name: 3-(butanoylamino)-4-phenylsulfanyl-benzoic acid Openeye Name: 3-(butanoylamino)-4-phenylsulfanyl-benzoic acid CAS Name: 3-(1-oxobutylamino)-4-(phenylthio)benzoic acid IUPAC Name: 3-(butanoylamino)-4-phenylsulfanylbenzoic acid Traditional Name: 3-butyramido-4-(phenylthio)benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-2-6-16(19)18-14-11-12(17(20)21)9-10-15(14)22-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)(H,20,21)