[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H21NO3S/c1-26-19-10-5-15(6-11-19)7-12-21(24)25-14-20(23)22-18-9-8-16-3-2-4-17(16)13-18/h5-13H,2-4,14H2,1H3,(H,22,23)/b12-7+