[(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxidanylidene-hex-5-en-3-yl] 2-methyl-6-oxidanyl-benzoate

Systemtic Name: [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxidanylidene-hex-5-en-3-yl] 2-methyl-6-oxidanyl-benzoate Openeye Name: [(E,1S)-4-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-(2-methoxy-2-oxo-ethyl)but-3-enyl] 2-hydroxy-6-methyl-benzoate CAS Name: 2-hydroxy-6-methylbenzoic acid [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyimino-1-oxobut-2-enyl]amino]-1-oxohex-5-en-3-yl] ester IUPAC Name: [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxohex-5-en-3-yl] 2-hydroxy-6-methylbenzoate Traditional Name: 2-hydroxy-6-methyl-benzoic acid [(E,1S)-1-(2-keto-2-methoxy-ethyl)-4-[[(E,4E)-4-methyloximinobut-2-enoyl]amino]but-3-enyl] ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)O)C(=O)OC(CC=CNC(=O)C=CC=NOC)CC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)O)C(=O)O[C@@H](C/C=C/NC(=O)/C=C/C=N/OC)CC(=O)OC

InChI

InChI=1S/C20H24N2O7/c1-14-7-4-9-16(23)19(14)20(26)29-15(13-18(25)27-2)8-5-11-21-17(24)10-6-12-22-28-3/h4-7,9-12,15,23H,8,13H2,1-3H3,(H,21,24)/b10-6+,11-5+,22-12+/t15-/m0/s1