methyl 4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-fluorothiochroman-4-yl)carbamoyl]benzoate CAS Name: 4-[[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]benzoate Traditional Name: 4-[(6-fluorothiochroman-4-yl)carbamoyl]benzoic acid methyl ester Formula: C18H16FNO3S MolecularWeight: 345.387943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C18H16FNO3S/c1-23-18(22)12-4-2-11(3-5-12)17(21)20-15-8-9-24-16-7-6-13(19)10-14(15)16/h2-7,10,15H,8-9H2,1H3,(H,20,21)