3-(butanoylamino)-4-phenylsulfanyl-benzoate

Systemtic Name: 3-(butanoylamino)-4-phenylsulfanyl-benzoate Openeye Name: 3-(butanoylamino)-4-phenylsulfanyl-benzoate CAS Name: 3-(1-oxobutylamino)-4-(phenylthio)benzoate IUPAC Name: 3-(butanoylamino)-4-phenylsulfanylbenzoate Traditional Name: 3-butyramido-4-(phenylthio)benzoate Formula: C17H16NO3S- MolecularWeight: 314.37884

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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)/p-1