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

Systemtic Name: 3-[5-(1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-(1-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-(1-butyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(1-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O

InChI

InChI=1S/C18H18N2O4S2/c1-2-3-9-19-12-7-5-4-6-11(12)14(16(19)23)15-17(24)20(18(25)26-15)10-8-13(21)22/h4-7H,2-3,8-10H2,1H3,(H,21,22)