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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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