[2-azanyl-5-[(5-methylthiophen-2-yl)methyl]phenyl]sulfanyl 3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: [2-azanyl-5-[(5-methylthiophen-2-yl)methyl]phenyl]sulfanyl 3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: [2-amino-5-[(5-methyl-2-thienyl)methyl]phenyl]sulfanyl 2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 2-hydroxy-3-(4-methoxyphenyl)propanoic acid [[2-amino-5-[(5-methyl-2-thiophenyl)methyl]phenyl]thio] ester IUPAC Name: [2-amino-5-[(5-methylthiophen-2-yl)methyl]phenyl]sulfanyl 2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 2-hydroxy-3-(4-methoxyphenyl)propionic acid [[2-amino-5-[(5-methyl-2-thienyl)methyl]phenyl]thio] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CC2=CC(=C(C=C2)N)SOC(=O)C(CC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=CC=C(S1)CC2=CC(=C(C=C2)N)SOC(=O)C(CC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H23NO4S2/c1-14-3-9-18(28-14)11-16-6-10-19(23)21(13-16)29-27-22(25)20(24)12-15-4-7-17(26-2)8-5-15/h3-10,13,20,24H,11-12,23H2,1-2H3