[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C=CC2=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)/C=C/C2=CSC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S2/c24-19(13-26-20(25)8-7-15-9-11-27-14-15)23-10-3-4-16(12-23)21-22-17-5-1-2-6-18(17)28-21/h1-2,5-9,11,14,16H,3-4,10,12-13H2/b8-7+/t16-/m0/s1