2-[4-[(4-oxidanylidene-2-phenyl-2,3-dihydrothiochromen-3-yl)methyl]piperazin-1-yl]propanedioic acid

Systemtic Name: 2-[4-[(4-oxidanylidene-2-phenyl-2,3-dihydrothiochromen-3-yl)methyl]piperazin-1-yl]propanedioic acid Openeye Name: 2-[4-[(4-oxo-2-phenyl-thiochroman-3-yl)methyl]piperazin-1-yl]propanedioic acid CAS Name: 2-[4-[(4-oxo-2-phenyl-2,3-dihydro-1-benzothiopyran-3-yl)methyl]-1-piperazinyl]propanedioic acid IUPAC Name: 2-[4-[(4-oxo-2-phenyl-2,3-dihydrothiochromen-3-yl)methyl]piperazin-1-yl]propanedioic acid Traditional Name: 2-[4-[(4-keto-2-phenyl-thiochroman-3-yl)methyl]piperazino]malonic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)C(C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H24N2O5S/c26-20-16-8-4-5-9-18(16)31-21(15-6-2-1-3-7-15)17(20)14-24-10-12-25(13-11-24)19(22(27)28)23(29)30/h1-9,17,19,21H,10-14H2,(H,27,28)(H,29,30)