ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C18H15N3O4S2/c1-3-24-17(23)14-9(2)13-15(22)20-12(21-16(13)27-14)8-26-18-19-10-6-4-5-7-11(10)25-18/h4-7H,3,8H2,1-2H3,(H,20,21,22)