(E)-3-(1,3-benzothiazol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methyl-2-thienyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methyl-2-thiophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methylthiophen-2-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methyl-2-thienyl)but-3-enoate Formula: C16H12NO2S2- MolecularWeight: 314.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(SC=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

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