propan-2-yl (2S,3S)-3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: propan-2-yl (2S,3S)-3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: isopropyl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2N)O

Isomeric SMILES

CC(C)OC(=O)[C@@H]([C@H](C1=CC=C(C=C1)OC)SC2=CC=CC=C2N)O

InChI

InChI=1S/C19H23NO4S/c1-12(2)24-19(22)17(21)18(13-8-10-14(23-3)11-9-13)25-16-7-5-4-6-15(16)20/h4-12,17-18,21H,20H2,1-3H3/t17-,18+/m1/s1