methyl (2S)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-ethoxyphenyl)thiazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(4-ethoxyphenyl)-4-thiazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[(2-p-phenetylthiazole-4-carbonyl)amino]propionic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-3-28-17-11-9-16(10-12-17)21-24-19(14-29-21)20(25)23-18(22(26)27-2)13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,23,25)/t18-/m0/s1