ethyl 4-oxidanylidene-2-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(2-anilino-2-oxoethyl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-anilino-2-oxoethyl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[(2-anilino-2-keto-ethyl)thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-2-27-21(26)14-8-9-18-17(10-14)19(24)11-16(22-18)12-28-13-20(25)23-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,24)(H,23,25)