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

Systemtic Name: ethyl 7-bromanyl-1-cyclopropyl-8-methoxy-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-bromo-1-cyclopropyl-8-methoxy-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-bromo-1-cyclopropyl-8-methoxy-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-cyclopropyl-8-methoxy-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-bromo-1-cyclopropyl-4-keto-8-methoxy-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4S/c1-4-23-17(21)12-14(20)10-7-8-11(18)15(22-2)13(10)19(9-5-6-9)16(12)24-3/h7-9H,4-6H2,1-3H3