ethyl 5-nitro-2-(thian-4-ylamino)benzoate

Systemtic Name: ethyl 5-nitro-2-(thian-4-ylamino)benzoate Openeye Name: ethyl 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 5-nitro-2-(4-thianylamino)benzoic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-(thian-4-ylamino)benzoate Traditional Name: 5-nitro-2-(tetrahydrothiopyran-4-ylamino)benzoic acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCSCC2

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCSCC2

InChI

InChI=1S/C14H18N2O4S/c1-2-20-14(17)12-9-11(16(18)19)3-4-13(12)15-10-5-7-21-8-6-10/h3-4,9-10,15H,2,5-8H2,1H3