(2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O4S/c1-13(20(24)22-16-6-4-15(5-7-16)21-14(2)23)27-17-8-9-18-19(12-17)26-11-3-10-25-18/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1