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

Systemtic Name: ethyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H20BrNO5S/c1-3-28-22(27)18-17-11(2)5-4-6-16(17)30-20(18)24-19(25)14-10-12-9-13(23)7-8-15(12)29-21(14)26/h7-11H,3-6H2,1-2H3,(H,24,25)