N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCSC)OC

InChI

InChI=1S/C17H17N3O5S3/c1-24-11-8-10-14(9-12(11)25-2)28-17(19(10)6-7-26-3)18-16(21)13-4-5-15(27-13)20(22)23/h4-5,8-9H,6-7H2,1-3H3