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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-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 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

InChI

InChI=1S/C18H19NO5S2/c1-3-6-13-11-15(25-12(13)2)18(21)24-10-9-19-17(20)14-7-4-5-8-16(14)26(19,22)23/h4-5,7-8,11H,3,6,9-10H2,1-2H3