(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(isopropylcarbamoyl)propionamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H22N2O4S/c1-10(2)17-16(20)18-15(19)11(3)23-12-5-6-13-14(9-12)22-8-4-7-21-13/h5-6,9-11H,4,7-8H2,1-3H3,(H2,17,18,19,20)/t11-/m0/s1