(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-p-anisyl-propionamide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)NCC2=CC=C(C=C2)OC)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)NCC2=CC=C(C=C2)OC)NC(=O)C)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-13-4-9-17(10-18(13)21)27-12-19(23-14(2)24)20(25)22-11-15-5-7-16(26-3)8-6-15/h4-10,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m1/s1