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

Systemtic Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoate Openeye Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoate CAS Name: (E)-3-[5-(1-azepanyl)-2-furanyl]-2-(1,3-benzoxazol-2-ylthio)-2-propenoate IUPAC Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoate Traditional Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-(1,3-benzoxazol-2-ylthio)acrylate Formula: C20H19N2O4S- MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(O2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(O2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N2O4S/c23-19(24)17(27-20-21-15-7-3-4-8-16(15)26-20)13-14-9-10-18(25-14)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,24)/p-1/b17-13+