[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C19H18BrNO4S/c1-13-10-11-21(15-4-2-3-5-16(15)26-13)18(22)12-24-19(23)9-7-14-6-8-17(20)25-14/h2-9,13H,10-12H2,1H3/b9-7+