N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(5-methyl-4-p-phenetyl-thiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O4S2/c1-3-28-16-7-4-13(5-8-16)19-12(2)29-21(22-19)23-20(25)18-11-14-10-15(24(26)27)6-9-17(14)30-18/h4-11H,3H2,1-2H3,(H,22,23,25)