[5-bromanyl-2-pyridin-2-yl-3-(1,3-thiazol-4-yl)indol-1-yl] (Z)-2-methyl-3-methylsulfonyloxy-prop-2-enoate

Systemtic Name: [5-bromanyl-2-pyridin-2-yl-3-(1,3-thiazol-4-yl)indol-1-yl] (Z)-2-methyl-3-methylsulfonyloxy-prop-2-enoate Openeye Name: [5-bromo-2-(2-pyridyl)-3-thiazol-4-yl-indol-1-yl] (Z)-2-methyl-3-methylsulfonyloxy-prop-2-enoate CAS Name: (Z)-2-methyl-3-methylsulfonyloxy-2-propenoic acid [5-bromo-2-(2-pyridinyl)-3-(4-thiazolyl)-1-indolyl] ester IUPAC Name: [5-bromo-2-pyridin-2-yl-3-(1,3-thiazol-4-yl)indol-1-yl] (Z)-2-methyl-3-methylsulfonyloxyprop-2-enoate Traditional Name: (Z)-2-methyl-3-methylsulfonyloxy-acrylic acid [5-bromo-2-(2-pyridyl)-3-thiazol-4-yl-indol-1-yl] ester Formula: C21H16BrN3O5S2 MolecularWeight: 534.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COS(=O)(=O)C)C(=O)ON1C2=C(C=C(C=C2)Br)C(=C1C3=CC=CC=N3)C4=CSC=N4

Isomeric SMILES

C/C(=C/OS(=O)(=O)C)/C(=O)ON1C2=C(C=C(C=C2)Br)C(=C1C3=CC=CC=N3)C4=CSC=N4

InChI

InChI=1S/C21H16BrN3O5S2/c1-13(10-29-32(2,27)28)21(26)30-25-18-7-6-14(22)9-15(18)19(17-11-31-12-24-17)20(25)16-5-3-4-8-23-16/h3-12H,1-2H3/b13-10-