methyl (2S)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-[4-[(4-chlorophenyl)thio]butanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-20-14(19)12(9-17)16-13(18)3-2-8-21-11-6-4-10(15)5-7-11/h4-7,12,17H,2-3,8-9H2,1H3,(H,16,18)/t12-/m0/s1