methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21N3O4S/c1-26-19(24)16(10-11-28-2)23-20(25)21-14-7-5-6-13(12-14)18-22-15-8-3-4-9-17(15)27-18/h3-9,12,16H,10-11H2,1-2H3,(H2,21,23,25)/t16-/m0/s1