[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O3S/c1-3-16-15(19)10(2)20-14(18)9-8-13-17-11-6-4-5-7-12(11)21-13/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)/t10-/m0/s1