2-[5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[5-[(2-chloro-7-methyl-3-quinolyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[5-[(2-chloro-7-methyl-3-quinolinyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[5-[(2-chloro-7-methyl-3-quinolyl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C18H13ClN2O5S2 MolecularWeight: 436.88922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C18H13ClN2O5S2/c1-8-2-3-9-5-10(15(19)20-11(9)4-8)6-13-16(24)21(18(27)28-13)12(17(25)26)7-14(22)23/h2-6,12H,7H2,1H3,(H,22,23)(H,25,26)