(E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(7-methoxy-1,3-benzodioxol-5-yl)but-3-enoic acid Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15NO5S/c1-23-14-7-11(8-15-18(14)25-10-24-15)6-12(9-17(21)22)19-20-13-4-2-3-5-16(13)26-19/h2-8H,9-10H2,1H3,(H,21,22)/b12-6+