2-[1-methyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)isoindol-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-methyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)isoindol-1-yl]sulfanylethanoic acid Openeye Name: 2-[1-methyl-3-oxo-2-(2-thienylmethyl)isoindolin-1-yl]sulfanylacetic acid CAS Name: 2-[[1-methyl-3-oxo-2-(thiophen-2-ylmethyl)-1-isoindolyl]thio]acetic acid IUPAC Name: 2-[1-methyl-3-oxo-2-(thiophen-2-ylmethyl)isoindol-1-yl]sulfanylacetic acid Traditional Name: 2-[[3-keto-1-methyl-2-(2-thenyl)isoindolin-1-yl]thio]acetic acid Formula: C16H15NO3S2 MolecularWeight: 333.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N1CC3=CC=CS3)SCC(=O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N1CC3=CC=CS3)SCC(=O)O

InChI

InChI=1S/C16H15NO3S2/c1-16(22-10-14(18)19)13-7-3-2-6-12(13)15(20)17(16)9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,18,19)