2-[(5E)-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(5E)-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(5E)-5-(1-methyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[(5E)-5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[(5E)-4-keto-5-(2-keto-1-methyl-indolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionic acid Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(CC4=CC=CC=C4)C(=O)O)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)C(CC4=CC=CC=C4)C(=O)O)/C1=O

InChI

InChI=1S/C21H16N2O4S2/c1-22-14-10-6-5-9-13(14)16(18(22)24)17-19(25)23(21(28)29-17)15(20(26)27)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,26,27)/b17-16+