(2S)-2-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[2-(2-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methyl-valerate Formula: C18H21N2O4S- MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=CC=C2OC

InChI

InChI=1S/C18H22N2O4S/c1-11(2)8-14(18(22)23)20-16(21)9-12-10-25-17(19-12)13-6-4-5-7-15(13)24-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t14-/m0/s1