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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S2/c1-17-13-3-2-10(6-14(13)19(21)22)16(20)23-7-12-9-25-15(18-12)11-4-5-24-8-11/h2-6,8-9,17H,7H2,1H3