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

Systemtic Name: methyl 3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O4S/c1-25-17(23)10-14(15-7-4-8-26-15)19-16(22)9-13-11-5-2-3-6-12(11)18(24)21-20-13/h2-8,14H,9-10H2,1H3,(H,19,22)(H,21,24)