ethyl 7-(dimethylamino)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-1,4-dihydroquinoline-3-carboxylate

Systemtic Name: ethyl 7-(dimethylamino)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-1,4-dihydroquinoline-3-carboxylate Openeye Name: ethyl 7-(dimethylamino)-3-(2-nitrophenyl)sulfanyl-2-oxo-1,4-dihydroquinoline-3-carboxylate CAS Name: 7-(dimethylamino)-3-[(2-nitrophenyl)thio]-2-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(dimethylamino)-3-(2-nitrophenyl)sulfanyl-2-oxo-1,4-dihydroquinoline-3-carboxylate Traditional Name: 7-(dimethylamino)-2-keto-3-[(2-nitrophenyl)thio]-1,4-dihydroquinoline-3-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=C(C=C2)N(C)C)NC1=O)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=C(C=C2)N(C)C)NC1=O)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-4-28-19(25)20(29-17-8-6-5-7-16(17)23(26)27)12-13-9-10-14(22(2)3)11-15(13)21-18(20)24/h5-11H,4,12H2,1-3H3,(H,21,24)