2-[5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-chloranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-chloranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]thio]acetic acid IUPAC Name: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-chloro-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]thio]acetic acid Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)SCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)SCC(=O)O

InChI

InChI=1S/C16H14ClNO4S/c17-12-6-5-9(7-13(12)23-8-14(19)20)18-15(21)10-3-1-2-4-11(10)16(18)22/h5-7H,1-4,8H2,(H,19,20)