ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]pentanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]pentanoate Openeye Name: ethyl (2S)-2-[[(1S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-2-oxo-ethyl]amino]pentanoate CAS Name: (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylthio)-1-oxopropan-2-yl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxopropan-2-yl]amino]pentanoate Traditional Name: (2S)-2-[[(1S)-2-(1,3-benzothiazol-2-ylthio)-2-keto-1-methyl-ethyl]amino]valeric acid ethyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)NC(C)C(=O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S2/c1-4-8-13(15(20)22-5-2)18-11(3)16(21)24-17-19-12-9-6-7-10-14(12)23-17/h6-7,9-11,13,18H,4-5,8H2,1-3H3/t11-,13-/m0/s1