methyl 2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-(4-phenylsulfanylbutanoylamino)thiazole-5-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-phenylsulfanylbutanoylamino)-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S2/c1-20-14(19)12-10-16-15(22-12)17-13(18)8-5-9-21-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17,18)