methyl (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-pent-2-enoate

Systemtic Name: methyl (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-pent-2-enoate Openeye Name: methyl (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-pent-2-enoate CAS Name: (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethylpent-2-enoate Traditional Name: (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-pent-2-enoic acid methyl ester Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CS(=O)(=O)C1=NC2=CC=CC=C2S1)/C=C(\C)/C(=O)OC

InChI

InChI=1S/C15H17NO4S2/c1-10(8-11(2)14(17)20-3)9-22(18,19)15-16-12-6-4-5-7-13(12)21-15/h4-8,10H,9H2,1-3H3/b11-8+/t10-/m0/s1