methyl 5-[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

InChI

InChI=1S/C21H22N2O6S2/c1-13-9-16(6-7-17(13)28-3)31(26,27)23(2)12-20(24)22-15-5-8-18-14(10-15)11-19(30-18)21(25)29-4/h5-11H,12H2,1-4H3,(H,22,24)