(3S)-3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: (3S)-3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: (3S)-3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoate IUPAC Name: (3S)-3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-(4-methoxyphenyl)propionate Formula: C19H17N2O5S- MolecularWeight: 385.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H18N2O5S/c1-25-13-8-6-12(7-9-13)15(10-18(23)24)20-17(22)11-27-19-21-14-4-2-3-5-16(14)26-19/h2-9,15H,10-11H2,1H3,(H,20,22)(H,23,24)/p-1/t15-/m0/s1