3-[[(prop-2-enylamino)-sulfanyl-methyl]amino]benzoic acid

Systemtic Name: 3-[[(prop-2-enylamino)-sulfanyl-methyl]amino]benzoic acid Openeye Name: 3-[[(allylamino)-sulfanyl-methyl]amino]benzoic acid CAS Name: 3-[[mercapto-(prop-2-enylamino)methyl]amino]benzoic acid IUPAC Name: 3-[[(prop-2-enylamino)-sulfanylmethyl]amino]benzoic acid Traditional Name: 3-[[(allylamino)-mercapto-methyl]amino]benzoic acid Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(NC1=CC=CC(=C1)C(=O)O)S

Isomeric SMILES

C=CCNC(NC1=CC=CC(=C1)C(=O)O)S

InChI

InChI=1S/C11H14N2O2S/c1-2-6-12-11(16)13-9-5-3-4-8(7-9)10(14)15/h2-5,7,11-13,16H,1,6H2,(H,14,15)