methyl 2-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]thiazol-4-yl]acetic acid methyl ester Formula: C13H17N3O3S3 MolecularWeight: 359.48738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C13H17N3O3S3/c1-19-11(18)6-9-7-21-12(14-9)15-10(17)8-22-13(20)16-4-2-3-5-16/h7H,2-6,8H2,1H3,(H,14,15,17)