ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-(2,5-diethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-4-(2,5-diethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4O3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4O3)C(=O)OCC

InChI

InChI=1S/C25H27N3O6S/c1-4-31-15-11-12-19(32-5-2)16(13-15)22-21(23(29)33-6-3)18(26-24(30)28-22)14-35-25-27-17-9-7-8-10-20(17)34-25/h7-13,22H,4-6,14H2,1-3H3,(H2,26,28,30)