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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c21-5-4-18-15-2-1-13(20(23)24)7-14(15)17(22)25-8-12-10-27-16(19-12)11-3-6-26-9-11/h1-3,6-7,9-10,18,21H,4-5,8H2