ethyl 2-[2-[(2-phenyl-2-pyrrolidin-1-ylcarbothioylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(2-phenyl-2-pyrrolidin-1-ylcarbothioylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-phenyl-2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-phenyl-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-phenyl-2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-phenyl-2-(pyrrolidine-1-carbothioylthio)acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCC3

InChI

InChI=1S/C20H23N3O3S3/c1-2-26-16(24)12-15-13-28-19(21-15)22-18(25)17(14-8-4-3-5-9-14)29-20(27)23-10-6-7-11-23/h3-5,8-9,13,17H,2,6-7,10-12H2,1H3,(H,21,22,25)