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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-prop-2-ynoxy-1-naphthyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-prop-2-ynoxy-1-naphthalenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-propargyloxy-1-naphthyl)acrylic acid Formula: C23H15NO4S MolecularWeight: 401.4345

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C#CCOC1=C(C2=CC=CC=C2C=C1)/C=C(/C(=O)O)\SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H15NO4S/c1-2-13-27-19-12-11-15-7-3-4-8-16(15)17(19)14-21(22(25)26)29-23-24-18-9-5-6-10-20(18)28-23/h1,3-12,14H,13H2,(H,25,26)/b21-14-