ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[[2-phenyl-2-(phenylthio)acetyl]amino]isothiazole-4-carboxylic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-3-26-21(25)17-14(2)23-28-20(17)22-19(24)18(15-10-6-4-7-11-15)27-16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H,22,24)