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

Systemtic Name: methyl 5-[2-[(3,4-dimethoxyphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzyl-(3,4-dimethoxyphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl-(3,4-dimethoxyphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O7S2 MolecularWeight: 554.63454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=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(CC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)OC

InChI

InChI=1S/C27H26N2O7S2/c1-34-22-11-10-21(15-23(22)35-2)38(32,33)29(16-18-7-5-4-6-8-18)17-26(30)28-20-9-12-24-19(13-20)14-25(37-24)27(31)36-3/h4-15H,16-17H2,1-3H3,(H,28,30)