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

Systemtic Name: methyl (2S)-2-[2-(2-benzamido-1,3-thiazol-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-benzamidothiazol-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-benzamido-4-thiazolyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-benzamidothiazol-4-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-29-21(28)18(12-15-8-4-2-5-9-15)24-19(26)13-17-14-30-22(23-17)25-20(27)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3,(H,24,26)(H,23,25,27)/t18-/m0/s1