methyl 4-(3,4-dihydro-2H-thiochromen-4-ylamino)benzoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-thiochromen-4-ylamino)benzoate Openeye Name: methyl 4-(thiochroman-4-ylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-thiochromen-4-ylamino)benzoate Traditional Name: 4-(thiochroman-4-ylamino)benzoic acid methyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2CCSC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H17NO2S/c1-20-17(19)12-6-8-13(9-7-12)18-15-10-11-21-16-5-3-2-4-14(15)16/h2-9,15,18H,10-11H2,1H3