methyl 3-[2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(4-methyl-1-oxo-phthalazin-2-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(4-methyl-1-oxo-2-phthalazinyl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(1-keto-4-methyl-phthalazin-2-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C19H19N3O4S/c1-12-13-6-3-4-7-14(13)19(25)22(21-12)11-17(23)20-15(10-18(24)26-2)16-8-5-9-27-16/h3-9,15H,10-11H2,1-2H3,(H,20,23)