methyl 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: 2-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-16-10-8-15(9-11-16)18-13-29-21(23-18)24-20(26)22-17(19(25)28-2)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H2,22,23,24,26)