ethyl 2-[2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)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)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

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

InChI

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