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

Systemtic Name: 3-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[benzyl-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-(phenylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[benzyl-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[benzyl-(5-carbethoxy-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

InChI

InChI=1S/C25H22N4O6S/c1-3-35-24(34)21-15(2)26-25(36-21)28(13-16-9-5-4-6-10-16)19(30)14-29-22(31)18-12-8-7-11-17(18)20(27-29)23(32)33/h4-12H,3,13-14H2,1-2H3,(H,32,33)