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

Systemtic Name: ethyl 2-[6-butyl-2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6S2/c1-4-6-7-18-8-13-21-22(16-18)34-25(27(21)17-24(29)33-5-2)26-23(28)14-15-35(30,31)20-11-9-19(32-3)10-12-20/h8-13,16H,4-7,14-15,17H2,1-3H3