[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O3S/c1-10(15(16)19)20-14(18)9-5-4-8-13-17-11-6-2-3-7-12(11)21-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,19)/t10-/m0/s1