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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-[(2S)-2-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-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-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-[(2S)-2-methylpiperidino]ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C(=CC2=CC(=CC=C2)C)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)/C(=C/C2=CC(=CC=C2)C)/C3=CC=CS3

InChI

InChI=1S/C22H25NO3S/c1-16-7-5-9-18(13-16)14-19(20-10-6-12-27-20)22(25)26-15-21(24)23-11-4-3-8-17(23)2/h5-7,9-10,12-14,17H,3-4,8,11,15H2,1-2H3/b19-14+/t17-/m0/s1