ethyl 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-(p-tolylsulfanylmethyl)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-[[(4-methylphenyl)thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-methyl-6-[(p-tolylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1CSC2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1CSC2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H22N4O2S2/c1-4-29-21(28)20-15(3)24-22(27-23-26-17-7-5-6-8-19(17)31-23)25-18(20)13-30-16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3,(H,24,25,26,27)