ethyl 2-[2-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[1-methyl-2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]propan-2-yl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-1-methyl-2-(3-piperidinosulfonylanilino)ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S3/c1-3-29-19(25)13-17-14-30-21(23-17)31-15(2)20(26)22-16-8-7-9-18(12-16)32(27,28)24-10-5-4-6-11-24/h7-9,12,14-15H,3-6,10-11,13H2,1-2H3,(H,22,26)