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

Systemtic Name: ethyl (E,4S)-5-(1,3-benzothiazol-2-ylsulfonyl)-2,4-dimethyl-pent-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S2/c1-4-21-15(18)12(3)9-11(2)10-23(19,20)16-17-13-7-5-6-8-14(13)22-16/h5-9,11H,4,10H2,1-3H3/b12-9+/t11-/m0/s1