[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-amino-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)N

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C14H17N3O3S/c1-7(2)16-12(18)8(3)20-13(19)9-4-5-10-11(6-9)21-14(15)17-10/h4-8H,1-3H3,(H2,15,17)(H,16,18)/t8-/m0/s1