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

Systemtic Name: methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C23H17BrN2O4S MolecularWeight: 497.36108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=N

InChI

InChI=1S/C23H17BrN2O4S/c1-12-3-5-13(6-4-12)17-11-31-22(19(17)23(28)29-2)26-21(27)16-10-14-9-15(24)7-8-18(14)30-20(16)25/h3-11,25H,1-2H3,(H,26,27)