methyl 5-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[benzenesulfonyl(phenethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[besyl(phenethyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O5S2/c1-33-26(30)24-17-20-16-21(12-13-23(20)34-24)27-25(29)18-28(15-14-19-8-4-2-5-9-19)35(31,32)22-10-6-3-7-11-22/h2-13,16-17H,14-15,18H2,1H3,(H,27,29)