(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 1,3-benzothiazole-6-carboxylate

Systemtic Name: (3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 1,3-benzothiazole-6-carboxylate Openeye Name: [2-methyl-1-(phenylcarbamoyl)propyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (1-anilino-3-methyl-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-3-methyl-1-oxobutan-2-yl) 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-methyl-1-(phenylcarbamoyl)propyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C19H18N2O3S/c1-12(2)17(18(22)21-14-6-4-3-5-7-14)24-19(23)13-8-9-15-16(10-13)25-11-20-15/h3-12,17H,1-2H3,(H,21,22)