3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C21H21N3O6S/c1-4-14-11(3)16(21(29)30-5-2)18(31-14)22-15(25)10-24-19(26)13-9-7-6-8-12(13)17(23-24)20(27)28/h6-9H,4-5,10H2,1-3H3,(H,22,25)(H,27,28)