methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-iminochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H15BrN2O4S MolecularWeight: 483.3345

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=N

InChI

InChI=1S/C22H15BrN2O4S/c1-28-22(27)18-16(12-5-3-2-4-6-12)11-30-21(18)25-20(26)15-10-13-9-14(23)7-8-17(13)29-19(15)24/h2-11,24H,1H3,(H,25,26)