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

Systemtic Name: 3-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-nitro-benzothiophene-2-carboxamide Formula: C17H10ClN3O4S2 MolecularWeight: 419.862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClN3O4S2/c1-25-9-3-5-11-13(7-9)27-17(19-11)20-16(22)15-14(18)10-4-2-8(21(23)24)6-12(10)26-15/h2-7H,1H3,(H,19,20,22)