2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]benzoic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-17(12-23-16-10-4-2-8-14(16)18(21)22)19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,21,22)