[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H12BrNO3S MolecularWeight: 390.25108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H12BrNO3S/c1-10-8-12(11-4-2-3-5-13(11)19-10)17(21)22-9-14(20)15-6-7-16(18)23-15/h2-8H,9H2,1H3