2-[[3-(4-carbamothioylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(4-carbamothioylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(4-carbamothioylphenyl)-2-oxo-oxazolidine-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-(4-carbamothioylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(4-carbamothioylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-keto-3-(4-thiocarbamoylphenyl)oxazolidine-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)N1C2=CC=C(C=C2)C(=S)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(OC(=O)N1C2=CC=C(C=C2)C(=S)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N3O5S/c21-17(29)13-6-8-14(9-7-13)23-11-16(28-20(23)27)18(24)22-15(19(25)26)10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H2,21,29)(H,22,24)(H,25,26)