[(2S)-1-oxidanylidene-1-phenylazanyl-pent-4-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-pent-4-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(phenylcarbamoyl)but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-1-oxopent-4-en-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopent-4-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(phenylcarbamoyl)but-3-enyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC=C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CC=C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-3-7-17(18(20)19-15-8-5-4-6-9-15)23-24(21,22)16-12-10-14(2)11-13-16/h3-6,8-13,17H,1,7H2,2H3,(H,19,20)/t17-/m0/s1