butyl 2-(pentanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(pentanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(pentanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxopentylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(pentanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(valerylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C17H22N2O3S/c1-3-5-7-15(20)19-17-18-13-9-8-12(11-14(13)23-17)16(21)22-10-6-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,18,19,20)