(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O5S2/c20-17(16-7-10-6-12(19(21)22)3-4-14(10)26-16)23-9-11-8-13(24-18-11)15-2-1-5-25-15/h1-8H,9H2