methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate; 2-[(3-phenylphenyl)methylsulfanyl]-1,3-thiazole

Systemtic Name: methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate; 2-[(3-phenylphenyl)methylsulfanyl]-1,3-thiazole Openeye Name: methyl (2S)-2-amino-4-methylsulfanyl-butanoate; 2-[(3-phenylphenyl)methylsulfanyl]thiazole CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid methyl ester; 2-[(3-phenylphenyl)methylthio]thiazole IUPAC Name: methyl (2S)-2-amino-4-methylsulfanylbutanoate; 2-[(3-phenylphenyl)methylsulfanyl]-1,3-thiazole Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid methyl ester; 2-[(3-phenylbenzyl)thio]thiazole Formula: C22H26N2O2S3 MolecularWeight: 446.64904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CSC3=NC=CS3

Isomeric SMILES

COC(=O)[C@H](CCSC)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CSC3=NC=CS3

InChI

InChI=1S/C16H13NS2.C6H13NO2S/c1-2-6-14(7-3-1)15-8-4-5-13(11-15)12-19-16-17-9-10-18-16;1-9-6(8)5(7)3-4-10-2/h1-11H,12H2;5H,3-4,7H2,1-2H3/t;5-/m.0/s1