3-chloranyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H14ClN3O5S2 MolecularWeight: 475.92526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C20H14ClN3O5S2/c1-28-14-7-6-10(8-15(14)29-2)12-9-30-20(22-12)23-19(25)18-16(21)11-4-3-5-13(24(26)27)17(11)31-18/h3-9H,1-2H3,(H,22,23,25)