ethyl 7-bromanyl-1-cyclopropyl-8-methoxy-4-oxidanylidene-2-sulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-cyclopropyl-8-methoxy-4-oxidanylidene-2-sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 7-bromo-1-cyclopropyl-8-methoxy-4-oxo-2-sulfanyl-quinoline-3-carboxylate CAS Name: 7-bromo-1-cyclopropyl-2-mercapto-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-cyclopropyl-8-methoxy-4-oxo-2-sulfanylquinoline-3-carboxylate Traditional Name: 7-bromo-1-cyclopropyl-4-keto-2-mercapto-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1=O)C=CC(=C2OC)Br)C3CC3)S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1=O)C=CC(=C2OC)Br)C3CC3)S

InChI

InChI=1S/C16H16BrNO4S/c1-3-22-16(20)11-13(19)9-6-7-10(17)14(21-2)12(9)18(15(11)23)8-4-5-8/h6-8,23H,3-5H2,1-2H3