2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H15NO5S/c1-10(24-15-5-3-2-4-12(15)17(20)21)16(19)18-11-6-7-13-14(8-11)23-9-22-13/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1