ethyl (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-but-2-enoate

Systemtic Name: ethyl (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-but-2-enoate Openeye Name: ethyl (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-but-2-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methylbut-2-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-but-2-enoic acid ethyl ester Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CS(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)/C=C(\C)/CS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H15NO4S2/c1-3-19-13(16)8-10(2)9-21(17,18)14-15-11-6-4-5-7-12(11)20-14/h4-8H,3,9H2,1-2H3/b10-8+