methyl 5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carboxylate Openeye Name: methyl 5-phenyl-3-propylsulfanyl-isothiazole-4-carboxylate CAS Name: 5-phenyl-3-(propylthio)-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carboxylate Traditional Name: 5-phenyl-3-(propylthio)isothiazole-4-carboxylic acid methyl ester Formula: C14H15NO2S2 MolecularWeight: 293.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC(=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=NSC(=C1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S2/c1-3-9-18-13-11(14(16)17-2)12(19-15-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3