O-ethyl [1-[(4-fluorophenyl)carbonyl-methoxycarbonyl-amino]-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[(4-fluorophenyl)carbonyl-methoxycarbonyl-amino]-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[[(4-fluorobenzoyl)-methoxycarbonyl-amino]methyl]-4-oxo-pentyl]sulfanylmethanethioate CAS Name: [[1-[[(4-fluorophenyl)-oxomethyl]-methoxycarbonylamino]-5-oxohexan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-[(4-fluorobenzoyl)-methoxycarbonylamino]-5-oxohexan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[[carbomethoxy-(4-fluorobenzoyl)amino]methyl]-4-keto-pentyl]thio]methanethioic acid O-ethyl ester Formula: C18H22FNO5S2 MolecularWeight: 415.499383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C)CN(C(=O)C1=CC=C(C=C1)F)C(=O)OC

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C)CN(C(=O)C1=CC=C(C=C1)F)C(=O)OC

InChI

InChI=1S/C18H22FNO5S2/c1-4-25-18(26)27-15(10-5-12(2)21)11-20(17(23)24-3)16(22)13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-11H2,1-3H3