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

Systemtic Name: butyl 2-(heptanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(heptanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxoheptylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(heptanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(enanthylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S/c1-3-5-7-8-9-17(22)21-19-20-15-11-10-14(13-16(15)25-19)18(23)24-12-6-4-2/h10-11,13H,3-9,12H2,1-2H3,(H,20,21,22)