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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H10N2O4S3 MolecularWeight: 402.4673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C17H10N2O4S3/c20-17(15-6-11-5-13(19(21)22)1-2-14(11)26-15)23-7-12-9-25-16(18-12)10-3-4-24-8-10/h1-6,8-9H,7H2