methyl 5-[(2S,4R)-4-benzamido-3-chloranyl-thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[(2S,4R)-4-benzamido-3-chloranyl-thiolan-2-yl]pentanoate Openeye Name: methyl 5-[(2S,4R)-4-benzamido-3-chloro-tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[(2S,4R)-4-benzamido-3-chloro-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2S,4R)-4-benzamido-3-chlorothiolan-2-yl]pentanoate Traditional Name: 5-[(2S,4R)-4-benzamido-3-chloro-tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(C(CS1)NC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)CCCC[C@H]1C([C@@H](CS1)NC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-22-15(20)10-6-5-9-14-16(18)13(11-23-14)19-17(21)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3,(H,19,21)/t13-,14+,16?/m1/s1