ethyl 4-[3-(4-methoxyphenyl)sulfonyl-2-oxidanylidene-imidazol-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-(4-methoxyphenyl)sulfonyl-2-oxidanylidene-imidazol-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(4-methoxyphenyl)sulfonyl-2-oxo-imidazol-1-yl]-4-oxo-butanoate CAS Name: 4-[3-(4-methoxyphenyl)sulfonyl-2-oxo-1-imidazolyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methoxyphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[2-keto-3-(4-methoxyphenyl)sulfonyl-4-imidazolin-1-yl]butyric acid ethyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1C=CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CCC(=O)N1C=CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H18N2O7S/c1-3-25-15(20)9-8-14(19)17-10-11-18(16(17)21)26(22,23)13-6-4-12(24-2)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3