2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(isopentylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(isoamylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10(2)7-8-15-13(16)9-19-12-6-4-3-5-11(12)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)