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

Systemtic Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioate Openeye Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioate CAS Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioate IUPAC Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioate Traditional Name: (2R)-2-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]glutarate Formula: C16H11NO7S2-2 MolecularWeight: 393.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)[C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/p-2/b12-6-/t9-/m1/s1