methyl 5-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C28H28N2O7S2 MolecularWeight: 568.66112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)OC

InChI

InChI=1S/C28H28N2O7S2/c1-35-23-11-10-22(17-24(23)36-2)39(33,34)30(14-13-19-7-5-4-6-8-19)18-27(31)29-21-9-12-25-20(15-21)16-26(38-25)28(32)37-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,31)