methyl 4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-bromo-5-methyl-2-thienyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-bromo-5-methyl-2-thiophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-bromo-5-methyl-2-thienyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)Br)C(=O)OC

InChI

InChI=1S/C17H18BrNO3S/c1-8-14(17(21)22-3)16(13-7-10(18)9(2)23-13)15-11(19-8)5-4-6-12(15)20/h5,7,15-16,19H,4,6H2,1-3H3