(2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: (2R)-2-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butyrate Formula: C15H12NO5S2- MolecularWeight: 350.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C15H13NO5S2/c1-2-9(14(18)19)16-13(17)12(23-15(16)22)6-8-3-4-10-11(5-8)21-7-20-10/h3-6,9H,2,7H2,1H3,(H,18,19)/p-1/b12-6-/t9-/m1/s1