1-[2-(4-nitrophenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4-nitrophenyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O5S/c21-17(11-26-13-8-6-12(7-9-13)20(24)25)19-10-2-4-14-15(18(22)23)3-1-5-16(14)19/h1,3,5-9H,2,4,10-11H2,(H,22,23)