ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O5S3 MolecularWeight: 506.65794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O5S3/c1-4-30-22(27)15-25-19-12-11-18(33(3,28)29)14-20(19)32-23(25)24-21(26)6-5-13-31-17-9-7-16(2)8-10-17/h7-12,14H,4-6,13,15H2,1-3H3