ethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)thiazole-4-carboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)thiazole-4-carboxylic acid ethyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5S2/c1-2-23-15(20)13-10-24-16(17-13)18-14(19)8-9-25(21,22)11-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,18,19)