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

Systemtic Name: methyl 2-[(2-azanylidene-6-bromanyl-chromen-3-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-imino-1-benzopyran-3-yl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-iminochromene-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-imino-chromene-3-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=N)C(=O)OC

InChI

InChI=1S/C18H15BrN2O4S/c1-3-11-8-13(18(23)24-2)17(26-11)21-16(22)12-7-9-6-10(19)4-5-14(9)25-15(12)20/h4-8,20H,3H2,1-2H3,(H,21,22)