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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O6S3 MolecularWeight: 491.56048

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S3/c1-29-8-7-22-15-5-4-14(32(2,27)28)11-17(15)31-20(22)21-19(24)18-10-12-9-13(23(25)26)3-6-16(12)30-18/h3-6,9-11H,7-8H2,1-2H3