(Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)furan-2-yl]but-3-enoate

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)furan-2-yl]but-3-enoate Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)-2-furyl]but-3-enoate CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)-2-furanyl]-3-butenoate IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)furan-2-yl]but-3-enoate Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2-bromophenyl)-2-furyl]but-3-enoate Formula: C21H13BrNO3S- MolecularWeight: 439.30182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(/CC(=O)[O-])\C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H14BrNO3S/c22-16-6-2-1-5-15(16)18-10-9-14(26-18)11-13(12-20(24)25)21-23-17-7-3-4-8-19(17)27-21/h1-11H,12H2,(H,24,25)/p-1/b13-11-