[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)OC(C)C(=O)NCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O7S2/c1-13(20(24)29-14(2)19(23)21-12-15-5-3-10-30-15)22-31(25,26)16-6-7-17-18(11-16)28-9-4-8-27-17/h3,5-7,10-11,13-14,22H,4,8-9,12H2,1-2H3,(H,21,23)/t13-,14?/m0/s1