(2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-16(25)22-20(15-28-19-10-8-18(27-2)9-11-19)21(26)23(12-13-24)14-17-6-4-3-5-7-17/h3-11,20,24H,12-15H2,1-2H3,(H,22,25)/t20-/m1/s1