(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25NO4S/c1-17-9-11-21(28-2)20(15-17)26-25(27)24(18-7-4-3-5-8-18)31-19-10-12-22-23(16-19)30-14-6-13-29-22/h3-5,7-12,15-16,24H,6,13-14H2,1-2H3,(H,26,27)/t24-/m0/s1