2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)CC

InChI

InChI=1S/C19H21NO5S2/c1-3-7-15-13(4-2)12-16(26-15)19(22)25-11-10-20-18(21)14-8-5-6-9-17(14)27(20,23)24/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3