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

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O4S3 MolecularWeight: 459.56168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCSC

InChI

InChI=1S/C20H17N3O4S3/c1-27-14-4-6-17-15(11-14)22(7-8-28-2)20(30-17)21-19(24)18-10-12-9-13(23(25)26)3-5-16(12)29-18/h3-6,9-11H,7-8H2,1-2H3