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

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[(4-chlorophenyl)thio]methyl]-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]-6-methylpyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[(4-chlorophenyl)thio]methyl]-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2S2/c1-3-29-20(28)19-13(2)24-21(27-22-26-16-6-4-5-7-18(16)31-22)25-17(19)12-30-15-10-8-14(23)9-11-15/h4-11H,3,12H2,1-2H3,(H,24,25,26,27)