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1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate

1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
Openeye Name:1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
CAS Name:5-nitro-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
Traditional Name:5-nitrothiophene-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C13H8N2O4S2
MolecularWeight: 320.34362
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]


InChI

InChI=1S/C13H8N2O4S2/c16-13(10-5-6-12(21-10)15(17)18)19-7-11-14-8-3-1-2-4-9(8)20-11/h1-6H,7H2


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