2-[2,5-bis(chloranyl)-4-[(E)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)-4-[(E)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-[(2-tert-butoxy-2-oxo-ethyl)amino]-3-oxo-prop-1-enyl]-2,5-dichloro-phenyl]sulfanylacetic acid CAS Name: 2-[[2,5-dichloro-4-[(E)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxoprop-1-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2,5-dichloro-4-[(E)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxoprop-1-enyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-[(2-tert-butoxy-2-keto-ethyl)amino]-3-keto-prop-1-enyl]-2,5-dichloro-phenyl]thio]acetic acid Formula: C17H19Cl2NO5S MolecularWeight: 420.30746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C=CC1=CC(=C(C=C1Cl)SCC(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)/C=C/C1=CC(=C(C=C1Cl)SCC(=O)O)Cl

InChI

InChI=1S/C17H19Cl2NO5S/c1-17(2,3)25-16(24)8-20-14(21)5-4-10-6-12(19)13(7-11(10)18)26-9-15(22)23/h4-7H,8-9H2,1-3H3,(H,20,21)(H,22,23)/b5-4+