methyl 5-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O6S2/c1-22(30(25,26)16-7-5-15(27-2)6-8-16)12-19(23)21-14-4-9-17-13(10-14)11-18(29-17)20(24)28-3/h4-11H,12H2,1-3H3,(H,21,23)