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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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