3-[4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[(4-ethoxyphenyl)sulfonylhydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(p-phenetylsulfonylamino)carbonimidoyl]-2-furyl]propionic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(OC(=C2)CCC(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C2=C(OC(=C2)CCC(=O)O)C

InChI

InChI=1S/C18H22N2O6S/c1-4-25-14-5-8-16(9-6-14)27(23,24)20-19-12(2)17-11-15(26-13(17)3)7-10-18(21)22/h5-6,8-9,11,20H,4,7,10H2,1-3H3,(H,21,22)/b19-12-