methyl 3-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-phenyl-3-[[2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[[2-[4-(p-tolyl)-2-thioxo-4-thiazolin-3-yl]acetyl]amino]propionic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-15-8-10-17(11-9-15)19-14-29-22(28)24(19)13-20(25)23-18(12-21(26)27-2)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)