2-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl]thio]benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(COC)NC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9(7-18-2)14-12(15)8-19-11-6-4-3-5-10(11)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)