methyl (2S)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H18N2O4S/c1-24-18(23)15(11-13-7-3-2-4-8-13)20-17(22)12-26-19-21-14-9-5-6-10-16(14)25-19/h2-10,15H,11-12H2,1H3,(H,20,22)/t15-/m0/s1