S-ethyl (2E)-7-methyl-2-(2-methyl-5-oxidanylidene-pyrimidin-4-ylidene)-3H-1,3-benzoxazole-4-carbothioate

Systemtic Name: S-ethyl (2E)-7-methyl-2-(2-methyl-5-oxidanylidene-pyrimidin-4-ylidene)-3H-1,3-benzoxazole-4-carbothioate Openeye Name: S-ethyl (2E)-7-methyl-2-(2-methyl-5-oxo-pyrimidin-4-ylidene)-3H-1,3-benzoxazole-4-carbothioate CAS Name: (2E)-7-methyl-2-(2-methyl-5-oxo-4-pyrimidinylidene)-3H-1,3-benzoxazole-4-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2E)-7-methyl-2-(2-methyl-5-oxopyrimidin-4-ylidene)-3H-1,3-benzoxazole-4-carbothioate Traditional Name: (2E)-2-(5-keto-2-methyl-pyrimidin-4-ylidene)-7-methyl-3H-1,3-benzoxazole-4-carbothioic acid S-ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C2C(=C(C=C1)C)OC(=C3C(=O)C=NC(=N3)C)N2

Isomeric SMILES

CCSC(=O)C1=C2C(=C(C=C1)C)O/C(=C/3\C(=O)C=NC(=N3)C)/N2

InChI

InChI=1S/C16H15N3O3S/c1-4-23-16(21)10-6-5-8(2)14-12(10)19-15(22-14)13-11(20)7-17-9(3)18-13/h5-7,19H,4H2,1-3H3/b15-13+