[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O7S/c1-4-31-18-9-8-15(11-19(18)30-3)21(27)32-13(2)20(26)24-22-23-17(12-33-22)14-6-5-7-16(10-14)25(28)29/h5-13H,4H2,1-3H3,(H,23,24,26)