methyl 3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-fluorothiochroman-4-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-fluorothiochroman-4-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H15FN2O5S MolecularWeight: 390.385503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN2O5S/c1-26-18(23)11-6-10(7-13(8-11)21(24)25)17(22)20-15-4-5-27-16-3-2-12(19)9-14(15)16/h2-3,6-9,15H,4-5H2,1H3,(H,20,22)