dimethyl 5-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(6-bromo-2-iminochromene-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H15BrN2O6S MolecularWeight: 479.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

InChI

InChI=1S/C19H15BrN2O6S/c1-8-13(18(24)26-2)17(29-14(8)19(25)27-3)22-16(23)11-7-9-6-10(20)4-5-12(9)28-15(11)21/h4-7,21H,1-3H3,(H,22,23)