methyl (5E)-5-[(3S,4R)-4-benzamido-3-oxidanyl-thiolan-2-ylidene]pentanoate

Systemtic Name: methyl (5E)-5-[(3S,4R)-4-benzamido-3-oxidanyl-thiolan-2-ylidene]pentanoate Openeye Name: methyl (5E)-5-[(3S,4R)-4-benzamido-3-hydroxy-tetrahydrothiophen-2-ylidene]pentanoate CAS Name: (5E)-5-[(3S,4R)-4-benzamido-3-hydroxy-2-thiolanylidene]pentanoic acid methyl ester IUPAC Name: methyl (5E)-5-[(3S,4R)-4-benzamido-3-hydroxythiolan-2-ylidene]pentanoate Traditional Name: (5E)-5-[(3S,4R)-4-benzamido-3-hydroxy-tetrahydrothiophen-2-ylidene]valeric acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C1C(C(CS1)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCC/C=C/1\[C@H]([C@H](CS1)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9+/t13-,16-/m0/s1