methyl 3-[[6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholin-3-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholin-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4S/c1-12-3-6-14(21(27)28-2)10-16(12)23-19(25)17-11-29-18(20(26)24-17)9-13-4-7-15(22)8-5-13/h3-8,10,17-18H,9,11H2,1-2H3,(H,23,25)(H,24,26)