(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(2S)-2-phenylbutyl]propionamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-3-16(17-7-5-4-6-8-17)14-22-21(23)15(2)26-18-9-10-19-20(13-18)25-12-11-24-19/h4-10,13,15-16H,3,11-12,14H2,1-2H3,(H,22,23)/t15-,16+/m0/s1