ethyl 4-methyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O5S2/c1-3-25-17(22)16-13(2)19-18(26-16)20-15(21)10-7-11-27(23,24)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,19,20,21)