methyl 2-[6-butyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)-1-oxobutyl]imino-6-butyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-besylbutanoylimino)-6-butyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C24H28N2O5S2/c1-3-4-9-18-13-14-20-21(16-18)32-24(26(20)17-23(28)31-2)25-22(27)12-8-15-33(29,30)19-10-6-5-7-11-19/h5-7,10-11,13-14,16H,3-4,8-9,12,15,17H2,1-2H3