[(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [(1S)-1-(phenylcarbamoyl)propyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [(2S)-1-anilino-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxobutan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [(1S)-1-(phenylcarbamoyl)propyl] ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O4/c1-2-16(20(24)21-14-8-4-3-5-9-14)26-19(23)13-12-18-22-15-10-6-7-11-17(15)25-18/h3-13,16H,2H2,1H3,(H,21,24)/b13-12+/t16-/m0/s1