(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxyphenyl)acrylic acid Formula: C17H13NO4S MolecularWeight: 327.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13NO4S/c1-21-12-6-4-5-11(9-12)10-15(16(19)20)23-17-18-13-7-2-3-8-14(13)22-17/h2-10H,1H3,(H,19,20)/b15-10+