4-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[cyclopropyl(ethyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(C1CC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-2-15(11-5-6-11)13(16)9-19-12-7-3-10(4-8-12)14(17)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,17,18)