2-[(4Z)-4-(4-ethoxyphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[(4Z)-4-(4-ethoxyphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[(4Z)-4-(4-ethoxyphenyl)sulfonylimino-1-oxo-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[(4Z)-4-(4-ethoxyphenyl)sulfonylimino-1-oxo-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[(4Z)-4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[(4Z)-1-keto-4-p-phenetylsulfonylimino-2-naphthyl]thio]acetic acid Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C20H17NO6S2/c1-2-27-13-7-9-14(10-8-13)29(25,26)21-17-11-18(28-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,22,23)/b21-17-