5-(phenylmethyl)-2-sulfanyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 5-(phenylmethyl)-2-sulfanyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 5-benzyl-2-sulfanyl-benzoic acid; (sulfinoamino)ethane CAS Name: 2-mercapto-5-(phenylmethyl)benzoic acid; (sulfinoamino)ethane IUPAC Name: 5-benzyl-2-sulfanylbenzoic acid; (sulfinoamino)ethane Traditional Name: 5-benzyl-2-mercapto-benzoic acid; (sulfinoamino)ethane Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)CC2=CC(=C(C=C2)S)C(=O)O

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)CC2=CC(=C(C=C2)S)C(=O)O

InChI

InChI=1S/C14H12O2S.C2H7NO2S/c15-14(16)12-9-11(6-7-13(12)17)8-10-4-2-1-3-5-10;1-2-3-6(4)5/h1-7,9,17H,8H2,(H,15,16);3H,2H2,1H3,(H,4,5)