2-(1,3-benzoxazol-2-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(1,3-benzoxazol-2-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(1,3-benzoxazol-2-yl)ethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(1,3-benzoxazol-2-yl)ethyl ester IUPAC Name: 2-(1,3-benzoxazol-2-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(1,3-benzoxazol-2-yl)ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H15N3O3S/c1-9-10(8-16-15(22)17-9)14(19)20-7-6-13-18-11-4-2-3-5-12(11)21-13/h2-5H,6-8H2,1H3,(H2,16,17,22)