methyl 3-methyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-6-9-16(10-7-14)27-12-4-5-19(24)22-21-23(2)17-11-8-15(20(25)26-3)13-18(17)28-21/h6-11,13H,4-5,12H2,1-3H3