methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16BrNO5S MolecularWeight: 438.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2)C

InChI

InChI=1S/C18H16BrNO5S/c1-8-9(2)26-16(14(8)18(23)24-3)20-15(21)13-7-10-6-11(19)4-5-12(10)17(22)25-13/h4-6,13H,7H2,1-3H3,(H,20,21)