[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O3S/c1-12(18(22)19-13-6-2-3-7-13)23-17(21)11-10-16-20-14-8-4-5-9-15(14)24-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,19,22)/b11-10+/t12-/m1/s1