ethyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C(=CC(=NC3=O)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C(=CC(=NC3=O)C)C

InChI

InChI=1S/C23H25N3O4S/c1-5-18(26-15(4)12-14(3)24-23(26)29)20(27)25-21-19(22(28)30-6-2)17(13-31-21)16-10-8-7-9-11-16/h7-13,18H,5-6H2,1-4H3,(H,25,27)