[5-(bromomethyl)thiophen-2-yl] 1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate

Systemtic Name: [5-(bromomethyl)thiophen-2-yl] 1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate Openeye Name: [5-(bromomethyl)-2-thienyl] 1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylate CAS Name: 1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid [5-(bromomethyl)-2-thiophenyl] ester IUPAC Name: [5-(bromomethyl)thiophen-2-yl] 1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid [5-(bromomethyl)-2-thienyl] ester Formula: C19H16BrNO3S MolecularWeight: 418.30424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)OC3=CC=C(S3)CBr)C4CC4

Isomeric SMILES

CC1=CC=CN2C1=C(C=C(C2=O)C(=O)OC3=CC=C(S3)CBr)C4CC4

InChI

InChI=1S/C19H16BrNO3S/c1-11-3-2-8-21-17(11)14(12-4-5-12)9-15(18(21)22)19(23)24-16-7-6-13(10-20)25-16/h2-3,6-9,12H,4-5,10H2,1H3