ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[(1S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylthio)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-(1,3-benzothiazol-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(1S)-2-(1,3-benzothiazol-2-ylthio)-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S2/c1-3-27-20(25)18(14-13-16-9-5-4-6-10-16)23-15(2)21(26)29-22-24-17-11-7-8-12-19(17)28-22/h4-12,15,18,23H,3,13-14H2,1-2H3/t15-,18-/m0/s1