2-methoxyethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC4=C(C(=C(S4)C(=O)OCCOC)C)C(=O)N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC4=C(C(=C(S4)C(=O)OCCOC)C)C(=O)N3

InChI

InChI=1S/C21H21N3O5S3/c1-4-28-12-5-6-13-14(9-12)31-21(22-13)30-10-15-23-18(25)16-11(2)17(32-19(16)24-15)20(26)29-8-7-27-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,23,24,25)