ethyl 5-ethoxy-6-oxidanylidene-1-(phenylmethyl)-2-thiophen-3-yl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 5-ethoxy-6-oxidanylidene-1-(phenylmethyl)-2-thiophen-3-yl-pyrimidine-4-carboxylate Openeye Name: ethyl 1-benzyl-5-ethoxy-6-oxo-2-(3-thienyl)pyrimidine-4-carboxylate CAS Name: 5-ethoxy-6-oxo-1-(phenylmethyl)-2-(3-thiophenyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-ethoxy-6-oxo-2-thiophen-3-ylpyrimidine-4-carboxylate Traditional Name: 1-benzyl-5-ethoxy-6-keto-2-(3-thienyl)pyrimidine-4-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C3=CSC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C3=CSC=C3)C(=O)OCC

InChI

InChI=1S/C20H20N2O4S/c1-3-25-17-16(20(24)26-4-2)21-18(15-10-11-27-13-15)22(19(17)23)12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3