N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H18FNO3S MolecularWeight: 395.446623

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H18FNO3S/c1-22(13-15-5-2-3-6-17(15)20(25)27-22)21(26)24-19(18-7-4-12-28-18)14-8-10-16(23)11-9-14/h2-12,19H,13H2,1H3,(H,24,26)