ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-3-28-21(26)20-19(15-7-5-4-6-8-15)24-22(30-20)23-18(25)13-14-29-17-11-9-16(27-2)10-12-17/h4-12H,3,13-14H2,1-2H3,(H,23,24,25)