2-(4-methoxyphenyl)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 2-(4-methoxyphenyl)ethyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid 2-(4-methoxyphenyl)ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO3S2/c1-15-13-26-21(22-15)27-14-17-5-3-4-6-19(17)20(23)25-12-11-16-7-9-18(24-2)10-8-16/h3-10,13H,11-12,14H2,1-2H3