methyl 5-[(2-methoxy-5-propan-2-yl-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(2-methoxy-5-propan-2-yl-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(5-isopropyl-2-methoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylate CAS Name: 5-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(5-isopropyl-2-methoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S2/c1-12(2)13-5-7-16(25-3)19(11-13)28(23,24)21-15-6-8-17-14(9-15)10-18(27-17)20(22)26-4/h5-12,21H,1-4H3