N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S2/c1-2-8-4-3-5-9-12(8)15-14(22-9)16-13(18)10-6-7-11(21-10)17(19)20/h3-7H,2H2,1H3,(H,15,16,18)