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

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C21H19N3O5S3 MolecularWeight: 489.58766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC)OC

InChI

InChI=1S/C21H19N3O5S3/c1-28-15-10-14-18(11-16(15)29-2)32-21(23(14)6-7-30-3)22-20(25)19-9-12-8-13(24(26)27)4-5-17(12)31-19/h4-5,8-11H,6-7H2,1-3H3