5-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid Openeye Name: 3-(allyloxycarbonylamino)-5-[(2-chlorophenyl)methylsulfanyl]-4-oxo-pentanoic acid CAS Name: 5-[(2-chlorophenyl)methylthio]-4-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-oxo-3-(prop-2-enoxycarbonylamino)pentanoic acid Traditional Name: 3-(allyloxycarbonylamino)-5-[(2-chlorobenzyl)thio]-4-keto-valeric acid Formula: C16H18ClNO5S MolecularWeight: 371.83582

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1Cl

Isomeric SMILES

C=CCOC(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1Cl

InChI

InChI=1S/C16H18ClNO5S/c1-2-7-23-16(22)18-13(8-15(20)21)14(19)10-24-9-11-5-3-4-6-12(11)17/h2-6,13H,1,7-10H2,(H,18,22)(H,20,21)