ethyl 2-[6-methylsulfonyl-2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-isopropylsulfanylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-[2-(4-propan-2-ylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(isopropylthio)phenyl]acetyl]imino-6-mesyl-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)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C23H26N2O5S3/c1-5-30-22(27)14-25-19-11-10-18(33(4,28)29)13-20(19)32-23(25)24-21(26)12-16-6-8-17(9-7-16)31-15(2)3/h6-11,13,15H,5,12,14H2,1-4H3