methyl 2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H23N3O4S/c1-12(2)9-13-11-29-19(18(13)21(27)28-4)22-17(25)10-16-14-7-5-6-8-15(14)20(26)24(3)23-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)