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

Systemtic Name: methyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H16BrNO5S MolecularWeight: 462.31374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C20H16BrNO5S/c1-26-20(25)16-12-4-2-3-5-15(12)28-18(16)22-17(23)13-9-10-8-11(21)6-7-14(10)27-19(13)24/h6-9H,2-5H2,1H3,(H,22,23)