(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromanyl-5-(dimethylamino)furan-2-yl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromanyl-5-(dimethylamino)furan-2-yl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromo-5-(dimethylamino)-2-furyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-bromo-5-(dimethylamino)-2-furanyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromo-5-(dimethylamino)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-bromo-5-(dimethylamino)-2-furyl]acrylate Formula: C16H12BrN2O4S- MolecularWeight: 408.24648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(O1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

CN(C)C1=C(C=C(O1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C16H13BrN2O4S/c1-19(2)14-10(17)7-9(22-14)8-13(15(20)21)24-16-18-11-5-3-4-6-12(11)23-16/h3-8H,1-2H3,(H,20,21)/p-1/b13-8+