3,6-bis(chloranyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide Formula: C17H9Cl2N3O4S2 MolecularWeight: 454.30706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H9Cl2N3O4S2/c1-26-10-5-8(22(24)25)6-12-14(10)20-17(28-12)21-16(23)15-13(19)9-3-2-7(18)4-11(9)27-15/h2-6H,1H3,(H,20,21,23)