[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(=CC2=CC(=CC=C2)C)C3=CC=CS3

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)/C(=C/C2=CC(=CC=C2)C)/C3=CC=CS3

InChI

InChI=1S/C22H25NO3S/c1-16-6-3-8-18(12-16)13-19(20-9-5-11-27-20)22(25)26-15-21(24)23-10-4-7-17(2)14-23/h3,5-6,8-9,11-13,17H,4,7,10,14-15H2,1-2H3/b19-13+/t17-/m1/s1