(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methyl-2-thienyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methyl-2-thiophenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methyl-2-thienyl)acrylic acid Formula: C15H11NO3S2 MolecularWeight: 317.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(SC=C1)/C=C(/C(=O)O)\SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H11NO3S2/c1-9-6-7-20-12(9)8-13(14(17)18)21-15-16-10-4-2-3-5-11(10)19-15/h2-8H,1H3,(H,17,18)/b13-8-