(E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1-benzofuran-2-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1-benzofuran-2-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxybenzofuran-2-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-2-benzofuranyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1-benzofuran-2-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxybenzofuran-2-yl)but-3-enoic acid Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO4S/c1-24-16-7-4-5-12-9-14(25-19(12)16)10-13(11-18(22)23)20-21-15-6-2-3-8-17(15)26-20/h2-10H,11H2,1H3,(H,22,23)/b13-10+