(2S)-2-[2-(4-methoxyphenyl)ethanoylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethanoylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C18H23N3O3S2/c1-24-15-5-3-13(4-6-15)9-17(22)21-16(7-8-25-2)18(23)19-10-14-11-26-12-20-14/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,23)(H,21,22)/t16-/m0/s1