[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2)SC

InChI

InChI=1S/C21H18N2O5S/c1-13(24)22-16-11-14(7-8-19(16)29-2)17(25)12-27-21(26)10-9-20-23-15-5-3-4-6-18(15)28-20/h3-11H,12H2,1-2H3,(H,22,24)/b10-9+