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

Systemtic Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-yl)but-3-enoic acid Openeye Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-yl)but-3-enoic acid CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-yl)-3-butenoic acid IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-yl)but-3-enoic acid Traditional Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-yl)but-3-enoic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13NO4S/c20-17(21)9-12(18-19-13-3-1-2-4-16(13)24-18)7-11-5-6-14-15(8-11)23-10-22-14/h1-8H,9-10H2,(H,20,21)/b12-7+