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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(S1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(S1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

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