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

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-isopropyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S2/c1-5-32-24(29)16-27-21-13-10-19(17(2)3)15-22(21)33-25(27)26-23(28)7-6-14-34(30,31)20-11-8-18(4)9-12-20/h8-13,15,17H,5-7,14,16H2,1-4H3