3-[[5-azanyl-2,4-bis(methoxycarbonyl)thiophen-3-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[5-azanyl-2,4-bis(methoxycarbonyl)thiophen-3-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[5-amino-2,4-bis(methoxycarbonyl)-3-thienyl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[5-amino-2,4-bis(methoxycarbonyl)-3-thiophenyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[5-amino-2,4-bis(methoxycarbonyl)thiophen-3-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-amino-2,4-dicarbomethoxy-3-thienyl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OC)N

InChI

InChI=1S/C18H15N3O7S/c1-27-17(25)11-10(13(18(26)28-2)29-14(11)19)7-21-15(22)9-6-4-3-5-8(9)12(20-21)16(23)24/h3-6H,7,19H2,1-2H3,(H,23,24)