(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25NO3S/c1-13(2)17-7-5-6-14(3)20(17)22-21(23)15(4)26-16-8-9-18-19(12-16)25-11-10-24-18/h5-9,12-13,15H,10-11H2,1-4H3,(H,22,23)/t15-/m0/s1