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

Systemtic Name: 3-[5-[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-(1-isopentyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[1-(3-methylbutyl)-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(1-isoamyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O

InChI

InChI=1S/C19H20N2O4S2/c1-11(2)7-9-20-13-6-4-3-5-12(13)15(17(20)24)16-18(25)21(19(26)27-16)10-8-14(22)23/h3-6,11H,7-10H2,1-2H3,(H,22,23)