[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)C)SC#N

InChI

InChI=1S/C21H17N3O4S/c1-12-7-14(29-11-22)8-13(2)20(12)24-19(26)10-28-21(27)16-9-18(25)23-17-6-4-3-5-15(16)17/h3-9H,10H2,1-2H3,(H,23,25)(H,24,26)