(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-chloro-4-methyl-phenyl)thio]-N-(2-hydroxyethyl)propionamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-15-8-9-18(12-19(15)22)28-14-20(23-16(2)26)21(27)24(10-11-25)13-17-6-4-3-5-7-17/h3-9,12,20,25H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m1/s1