3-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(2-butoxy-1-naphthyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(2-butoxy-1-naphthalenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-[(2-butoxy-1-naphthyl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=S)S3)CCC(=O)O

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O

InChI

InChI=1S/C21H21NO4S2/c1-2-3-12-26-17-9-8-14-6-4-5-7-15(14)16(17)13-18-20(25)22(21(27)28-18)11-10-19(23)24/h4-9,13H,2-3,10-12H2,1H3,(H,23,24)/b18-13-