[2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H23NO7S MolecularWeight: 409.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H23NO7S/c1-19(7-10-28(23,24)13-19)20-17(21)12-27-18(22)6-4-14-3-5-15-16(11-14)26-9-2-8-25-15/h3-6,11H,2,7-10,12-13H2,1H3,(H,20,21)/b6-4+/t19-/m1/s1