2-[5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[5-[(2-methyl-2H-chromen-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[4-keto-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C18H15NO6S2 MolecularWeight: 405.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO6S2/c1-9-11(6-10-4-2-3-5-13(10)25-9)7-14-16(22)19(18(26)27-14)12(17(23)24)8-15(20)21/h2-7,9,12H,8H2,1H3,(H,20,21)(H,23,24)