ethyl 3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C18H15N3O3S2/c1-3-24-18(23)15-10(2)14-16(26-15)19-9-21(17(14)22)8-13-20-11-6-4-5-7-12(11)25-13/h4-7,9H,3,8H2,1-2H3