ethyl 4-(thian-4-ylamino)benzoate

Systemtic Name: ethyl 4-(thian-4-ylamino)benzoate Openeye Name: ethyl 4-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 4-(4-thianylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(thian-4-ylamino)benzoate Traditional Name: 4-(tetrahydrothiopyran-4-ylamino)benzoic acid ethyl ester Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2CCSCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2CCSCC2

InChI

InChI=1S/C14H19NO2S/c1-2-17-14(16)11-3-5-12(6-4-11)15-13-7-9-18-10-8-13/h3-6,13,15H,2,7-10H2,1H3