ethyl 3-bromanyl-4-(thiolan-3-ylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(thiolan-3-ylamino)benzoate Openeye Name: ethyl 3-bromo-4-(tetrahydrothiophen-3-ylamino)benzoate CAS Name: 3-bromo-4-(3-thiolanylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(thiolan-3-ylamino)benzoate Traditional Name: 3-bromo-4-(tetrahydrothiophen-3-ylamino)benzoic acid ethyl ester Formula: C13H16BrNO2S MolecularWeight: 330.24064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2CCSC2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2CCSC2)Br

InChI

InChI=1S/C13H16BrNO2S/c1-2-17-13(16)9-3-4-12(11(14)7-9)15-10-5-6-18-8-10/h3-4,7,10,15H,2,5-6,8H2,1H3