2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]thio]acetic acid Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O)OCC#C

InChI

InChI=1S/C22H19NO4S2/c1-3-11-27-17-10-9-15(12-18(17)26-4-2)13-20(28-14-21(24)25)22-23-16-7-5-6-8-19(16)29-22/h1,5-10,12-13H,4,11,14H2,2H3,(H,24,25)/b20-13-