2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioate

Systemtic Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioate Openeye Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioate CAS Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioate IUPAC Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioate Traditional Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]malonate Formula: C14H11NO4S-2 MolecularWeight: 289.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H13NO4S/c1-2-15-10-5-3-4-6-11(10)20-12(15)8-7-9(13(16)17)14(18)19/h3-8H,2H2,1H3,(H,16,17)(H,18,19)/p-2/b12-8+