(2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-(2-pyrrolidinoethyl)propionamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCN3CCCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCN3CCCC3

InChI

InChI=1S/C23H29N3O3S/c1-18(27)25-22(23(28)24-13-16-26-14-5-6-15-26)17-30-21-11-9-20(10-12-21)29-19-7-3-2-4-8-19/h2-4,7-12,22H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/t22-/m1/s1