[(2R)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-ethoxybenzoate

Systemtic Name: [(2R)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-ethoxybenzoate Openeye Name: [(1R)-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(2R)-1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R)-2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S/c1-3-29-17-9-7-14(8-10-17)20(26)30-13(2)19(25)23-21-22-18(12-31-21)15-5-4-6-16(11-15)24(27)28/h4-13H,3H2,1-2H3,(H,22,23,25)/t13-/m1/s1