tert-butyl 4-ethoxycarbothioylsulfanyl-5-[(4-fluorophenyl)-methylsulfonyl-amino]pentanoate

Systemtic Name: tert-butyl 4-ethoxycarbothioylsulfanyl-5-[(4-fluorophenyl)-methylsulfonyl-amino]pentanoate Openeye Name: tert-butyl 4-ethoxycarbothioylsulfanyl-5-(4-fluoro-N-methylsulfonyl-anilino)pentanoate CAS Name: 4-[[ethoxy(sulfanylidene)methyl]thio]-5-(4-fluoro-N-methylsulfonylanilino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethoxycarbothioylsulfanyl-5-(4-fluoro-N-methylsulfonylanilino)pentanoate Traditional Name: 4-(ethoxycarbothioylthio)-5-(4-fluoro-N-mesyl-anilino)valeric acid tert-butyl ester Formula: C19H28FNO5S3 MolecularWeight: 465.622723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FNO5S3/c1-6-25-18(27)28-16(11-12-17(22)26-19(2,3)4)13-21(29(5,23)24)15-9-7-14(20)8-10-15/h7-10,16H,6,11-13H2,1-5H3