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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-thiophene-2-carboxamide Formula: C16H15N3O6S3 MolecularWeight: 441.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S3/c1-25-8-7-18-11-4-3-10(28(2,23)24)9-13(11)27-16(18)17-15(20)12-5-6-14(26-12)19(21)22/h3-6,9H,7-8H2,1-2H3