methyl 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2CSCC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2CSCC3=CC=CC=C23

InChI

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