methyl 3-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(SC=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=C(SC=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H20N2O7S2/c1-20(11-16(21)19-13-6-9-28-17(13)18(22)25-2)29(23,24)12-4-5-14-15(10-12)27-8-3-7-26-14/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,19,21)