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

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-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-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-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-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O4S/c1-13(19(25)23-20(26)21-14-7-3-2-4-8-14)27-18(24)12-11-17-22-15-9-5-6-10-16(15)28-17/h5-6,9-14H,2-4,7-8H2,1H3,(H2,21,23,25,26)/b12-11+/t13-/m1/s1