(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-13(22)21-17(12-25-16-7-5-15(24-2)6-8-16)18(23)20-11-14-4-3-9-19-10-14/h3-10,17H,11-12H2,1-2H3,(H,20,23)(H,21,22)/t17-/m1/s1