ethyl 4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[benzyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-(phenylmethyl)amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[benzyl-[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=CN3C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=CN3C)C

InChI

InChI=1S/C20H22N4O3S2/c1-4-27-18(26)17-14(2)22-20(29-17)24(12-15-8-6-5-7-9-15)16(25)13-28-19-21-10-11-23(19)3/h5-11H,4,12-13H2,1-3H3