2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCCN2C(=CSC2=O)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCCN2C(=CSC2=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O7S/c1-4-24-14-7-11(12(18(21)22)8-13(14)23-3)15(19)25-6-5-17-10(2)9-26-16(17)20/h7-9H,4-6H2,1-3H3