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

Systemtic Name: methyl 3-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O3S2/c1-4-24-18-12-9-16(21(26)27-3)14-19(18)29-22(24)23-20(25)6-5-13-28-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3