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

Systemtic Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioic acid Openeye Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioic acid CAS Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioic acid IUPAC Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedioic acid Traditional Name: 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]malonic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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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)/b12-8+