methyl 5-[(5-chloranyl-2-ethoxy-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(5-chloranyl-2-ethoxy-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(5-chloro-2-ethoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylate CAS Name: 5-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(5-chloro-2-ethoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H16ClNO5S2 MolecularWeight: 425.90634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

InChI

InChI=1S/C18H16ClNO5S2/c1-3-25-14-6-4-12(19)10-17(14)27(22,23)20-13-5-7-15-11(8-13)9-16(26-15)18(21)24-2/h4-10,20H,3H2,1-2H3