methyl (2S,3S)-3-(2-azanyl-5-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(2-azanyl-5-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-(2-amino-5-chloro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-chlorophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(2-amino-5-chlorophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-chloro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CC(=C2)Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)OC)O)SC2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C17H18ClNO4S/c1-22-12-6-3-10(4-7-12)16(15(20)17(21)23-2)24-14-9-11(18)5-8-13(14)19/h3-9,15-16,20H,19H2,1-2H3/t15-,16+/m1/s1