[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O8S MolecularWeight: 469.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C=CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)/C=C/C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H27N3O8S/c1-4-21-20(26)22-19(25)14(2)31-18(24)8-6-15-5-7-16(29-3)17(13-15)32(27,28)23-9-11-30-12-10-23/h5-8,13-14H,4,9-12H2,1-3H3,(H2,21,22,25,26)/b8-6+/t14-/m0/s1