3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)but-3-enoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)but-3-enoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)but-3-enoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)-3-butenoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)but-3-enoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-(2,3,4-trimethoxyphenyl)but-3-enoic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C20H19NO5S/c1-24-15-9-8-12(18(25-2)19(15)26-3)10-13(11-17(22)23)20-21-14-6-4-5-7-16(14)27-20/h4-10H,11H2,1-3H3,(H,22,23)