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

Systemtic Name: ethyl 2-[6-butyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S2/c1-3-5-10-19-14-15-21-22(17-19)33-25(27(21)18-24(29)32-4-2)26-23(28)13-9-16-34(30,31)20-11-7-6-8-12-20/h6-8,11-12,14-15,17H,3-5,9-10,13,16,18H2,1-2H3