(2S)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-(p-tolylthio)propionamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C(C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)[C@H](C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3S/c1-5-24-20-11-16-10-14(3)25-19(16)12-18(20)22-21(23)15(4)26-17-8-6-13(2)7-9-17/h6-9,11-12,14-15H,5,10H2,1-4H3,(H,22,23)/t14-,15-/m0/s1