(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=CO2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=CO2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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