ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O3S2/c1-3-27-21(26)15-24-18-7-4-5-8-19(18)29-22(24)23-20(25)9-6-14-28-17-12-10-16(2)11-13-17/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3