methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-iminochromene-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22BrN3O5S MolecularWeight: 520.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC)C

InChI

InChI=1S/C22H22BrN3O5S/c1-5-26(6-2)21(28)17-11(3)16(22(29)30-4)20(32-17)25-19(27)14-10-12-9-13(23)7-8-15(12)31-18(14)24/h7-10,24H,5-6H2,1-4H3,(H,25,27)