methyl 4-(cyclohexylcarbamothioylamino)-3-(4-fluorophenyl)carbonyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl 4-(cyclohexylcarbamothioylamino)-3-(4-fluorophenyl)carbonyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl 4-(cyclohexylcarbamothioylamino)-3-(4-fluorobenzoyl)-2-oxo-but-3-enoate CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl 4-(cyclohexylcarbamothioylamino)-3-(4-fluorobenzoyl)-2-oxobut-3-enoate Traditional Name: 4-(cyclohexylthiocarbamoylamino)-3-(4-fluorobenzoyl)-2-keto-but-3-enoic acid methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(=CNC(=S)NC1CCCCC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C(=O)C(=CNC(=S)NC1CCCCC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H21FN2O4S/c1-26-18(25)17(24)15(16(23)12-7-9-13(20)10-8-12)11-21-19(27)22-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,21,22,27)