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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methylthiophen-2-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-thienyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-thiophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methylthiophen-2-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-thienyl)but-3-enoic acid Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(S1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S2/c1-10-6-7-12(20-10)8-11(9-15(18)19)16-17-13-4-2-3-5-14(13)21-16/h2-8H,9H2,1H3,(H,18,19)/b11-8+