(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C17H15N3O4S2/c1-19(2)15-4-3-13(20(22)23)7-14(15)17(21)24-8-12-10-26-16(18-12)11-5-6-25-9-11/h3-7,9-10H,8H2,1-2H3