(Z)-3-anthracen-9-yl-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid

Systemtic Name: (Z)-3-anthracen-9-yl-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid Openeye Name: (Z)-3-(9-anthryl)-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid CAS Name: (Z)-3-(9-anthracenyl)-2-(1,3-benzoxazol-2-ylthio)-2-propenoic acid IUPAC Name: (Z)-3-anthracen-9-yl-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid Traditional Name: (Z)-3-(9-anthryl)-2-(1,3-benzoxazol-2-ylthio)acrylic acid Formula: C24H15NO3S MolecularWeight: 397.4458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C(=O)O)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C(/C(=O)O)\SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H15NO3S/c26-23(27)22(29-24-25-20-11-5-6-12-21(20)28-24)14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-14H,(H,26,27)/b22-14-