methyl 5-[[4-methoxy-3-(propanoylamino)phenyl]sulfonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-methoxy-3-(propanoylamino)phenyl]sulfonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[4-methoxy-3-(propanoylamino)phenyl]sulfonylamino]benzothiophene-2-carboxylate CAS Name: 5-[[4-methoxy-3-(1-oxopropylamino)phenyl]sulfonylamino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[4-methoxy-3-(propanoylamino)phenyl]sulfonylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-methoxy-3-propionamido-phenyl)sulfonylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

InChI

InChI=1S/C20H20N2O6S2/c1-4-19(23)21-15-11-14(6-7-16(15)27-2)30(25,26)22-13-5-8-17-12(9-13)10-18(29-17)20(24)28-3/h5-11,22H,4H2,1-3H3,(H,21,23)