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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O4S/c1-2-21-20(24)22-19(23)18(14-7-4-3-5-8-14)27-15-9-10-16-17(13-15)26-12-6-11-25-16/h3-5,7-10,13,18H,2,6,11-12H2,1H3,(H2,21,22,23,24)/t18-/m0/s1