(4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-benzothiazole-6-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C16H13NO3S2/c18-13(14-4-2-8-21-14)3-1-7-20-16(19)11-5-6-12-15(9-11)22-10-17-12/h2,4-6,8-10H,1,3,7H2