methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-fluorophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H21FN2O5S2 MolecularWeight: 512.573043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O5S2/c1-33-25(30)23-15-17-14-19(9-12-22(17)34-23)27-24(29)21(13-16-5-3-2-4-6-16)28-35(31,32)20-10-7-18(26)8-11-20/h2-12,14-15,21,28H,13H2,1H3,(H,27,29)