7-bromanyl-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Systemtic Name: 7-bromanyl-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Openeye Name: 1-(3-allyloxyphenyl)-7-bromo-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione CAS Name: 7-bromo-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione IUPAC Name: 7-bromo-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Traditional Name: 1-(3-allyloxyphenyl)-7-bromo-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone Formula: C29H21BrN2O5S MolecularWeight: 589.45644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=C(C4=O)C=C(C=C5)Br)C6=CC(=CC=C6)OCC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=C(C4=O)C=C(C=C5)Br)C6=CC(=CC=C6)OCC=C

InChI

InChI=1S/C29H21BrN2O5S/c1-3-12-36-18-7-5-6-16(13-18)25-24-26(33)20-14-17(30)8-11-22(20)37-27(24)28(34)32(25)29-31-21-10-9-19(35-4-2)15-23(21)38-29/h3,5-11,13-15,25H,1,4,12H2,2H3