propan-2-yl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C16H20N2O3S/c1-9(2)7-14(19)18-16-17-12-6-5-11(8-13(12)22-16)15(20)21-10(3)4/h5-6,8-10H,7H2,1-4H3,(H,17,18,19)