methyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H18BrNO5S/c1-10-3-5-13-16(7-10)29-19(17(13)21(26)27-2)23-18(24)14-9-11-8-12(22)4-6-15(11)28-20(14)25/h4,6,8-10H,3,5,7H2,1-2H3,(H,23,24)