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

Systemtic Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O4S/c1-2-27-19(25)17-15(12-29-21-23-14-10-6-7-11-16(14)28-21)22-20(26)24-18(17)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3,(H2,22,24,26)