(2S)-2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid Openeye Name: (2S)-3-(allyloxycarbonylamino)-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-pentanoic acid CAS Name: (2S)-2-[(2-chlorophenyl)methylthio]-4-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-3-(prop-2-enoxycarbonylamino)pentanoic acid Traditional Name: (2S)-3-(allyloxycarbonylamino)-2-[(2-chlorobenzyl)thio]-4-keto-valeric acid Formula: C16H18ClNO5S MolecularWeight: 371.83582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C(=O)O)SCC1=CC=CC=C1Cl)NC(=O)OCC=C

Isomeric SMILES

CC(=O)C([C@@H](C(=O)O)SCC1=CC=CC=C1Cl)NC(=O)OCC=C

InChI

InChI=1S/C16H18ClNO5S/c1-3-8-23-16(22)18-13(10(2)19)14(15(20)21)24-9-11-6-4-5-7-12(11)17/h3-7,13-14H,1,8-9H2,2H3,(H,18,22)(H,20,21)/t13?,14-/m0/s1