(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H20N2O6S3 MolecularWeight: 480.5776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OCC3=CSC(=N3)C4=CSC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OCC3=CSC(=N3)C4=CSC=C4)OC1

InChI

InChI=1S/C20H20N2O6S3/c23-19(28-11-15-13-30-20(22-15)14-5-9-29-12-14)4-6-21-31(24,25)16-2-3-17-18(10-16)27-8-1-7-26-17/h2-3,5,9-10,12-13,21H,1,4,6-8,11H2