methyl 5-[(3-chloranyl-4-ethoxy-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(3-chloranyl-4-ethoxy-phenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(3-chloro-4-ethoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylate CAS Name: 5-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(3-chloro-4-ethoxy-phenyl)sulfonylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H16ClNO5S2 MolecularWeight: 425.90634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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