[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O4S/c24-19(22-13-6-14-28-16-7-2-1-3-8-16)15-26-21(25)12-11-20-23-17-9-4-5-10-18(17)27-20/h1-5,7-12H,6,13-15H2,(H,22,24)/b12-11+