N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C16H15N3O5S3 MolecularWeight: 425.5024

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S3/c1-23-6-7-24-9-25-16-18-11-3-2-10(8-13(11)27-16)17-15(20)12-4-5-14(26-12)19(21)22/h2-5,8H,6-7,9H2,1H3,(H,17,20)