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

Systemtic Name: methyl (2S,3S)-3-(2-azanyl-5-ethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-(2-amino-5-ethyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-ethylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(2-amino-5-ethylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-ethyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)OC)O

Isomeric SMILES

CCC1=CC(=C(C=C1)N)S[C@@H](C2=CC=C(C=C2)OC)[C@H](C(=O)OC)O

InChI

InChI=1S/C19H23NO4S/c1-4-12-5-10-15(20)16(11-12)25-18(17(21)19(22)24-3)13-6-8-14(23-2)9-7-13/h5-11,17-18,21H,4,20H2,1-3H3/t17-,18+/m1/s1