(Z)-3-(1,3-benzothiazol-2-yl)-4-(2-prop-2-ynoxyphenyl)but-3-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-prop-2-ynoxyphenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-prop-2-ynoxyphenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-prop-2-ynoxyphenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-prop-2-ynoxyphenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(2-propargyloxyphenyl)but-3-enoic acid Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO3S/c1-2-11-24-17-9-5-3-7-14(17)12-15(13-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h1,3-10,12H,11,13H2,(H,22,23)/b15-12-