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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C17H13N3O3S3/c1-8-12-14(21)19-11(20-15(12)26-13(8)16(22)23-2)7-24-17-18-9-5-3-4-6-10(9)25-17/h3-6H,7H2,1-2H3,(H,19,20,21)