[2-[[(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(N-[(3S)-1,1-diketo-2,3-dihydrothiophen-3-yl]anilino)-2-keto-ethyl] ester Formula: C19H16INO5S MolecularWeight: 497.30351

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1[C@H](C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H16INO5S/c20-15-8-6-14(7-9-15)19(23)26-12-18(22)21(16-4-2-1-3-5-16)17-10-11-27(24,25)13-17/h1-11,17H,12-13H2/t17-/m0/s1