[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H20N4O5S/c1-2-3-9-24-19(27)13-7-5-4-6-12(13)16(23-24)20(28)29-11-15(25)22-18-14(17(21)26)8-10-30-18/h4-8,10H,2-3,9,11H2,1H3,(H2,21,26)(H,22,25)