[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H22N2O4S2/c1-22-14-6-4-13(5-7-14)10-18-15(20)11-23-16(21)12-25-17(24)19-8-2-3-9-19/h4-7H,2-3,8-12H2,1H3,(H,18,20)