[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H12N4O4S/c18-8-10-5-6-26-17(10)19-14(22)9-25-15(23)7-13-11-3-1-2-4-12(11)16(24)21-20-13/h1-6H,7,9H2,(H,19,22)(H,21,24)