[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C19H19N3O3S/c1-12(18(23)21-14-5-7-15(8-6-14)22(2)3)25-19(24)13-4-9-16-17(10-13)26-11-20-16/h4-12H,1-3H3,(H,21,23)/t12-/m0/s1