[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C20H27N3O5S/c1-13(18(25)22-20(27)21-14-8-4-5-9-14)28-19(26)15-10-6-7-11-16(15)29-12-17(24)23(2)3/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,21,22,25,27)/t13-/m1/s1