[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H11BrN2O4S/c1-19-15(21)10-5-3-2-4-9(10)14(18-19)16(22)23-8-11(20)12-6-7-13(17)24-12/h2-7H,8H2,1H3