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

Systemtic Name: methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-iminochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

InChI

InChI=1S/C17H13BrN2O4S/c1-8-5-12(17(22)23-2)16(25-8)20-15(21)11-7-9-6-10(18)3-4-13(9)24-14(11)19/h3-7,19H,1-2H3,(H,20,21)