ethyl (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethyl-hex-2-enoate

Systemtic Name: ethyl (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethyl-hex-2-enoate Openeye Name: ethyl (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethyl-hex-2-enoate CAS Name: (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethylhex-2-enoate Traditional Name: (Z,4S)-4-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C(C)C)N(C)S(=O)(=O)C1=NC2=CC=CC=C2S1)C

Isomeric SMILES

CCOC(=O)/C(=C\[C@H](C(C)C)N(C)S(=O)(=O)C1=NC2=CC=CC=C2S1)/C

InChI

InChI=1S/C18H24N2O4S2/c1-6-24-17(21)13(4)11-15(12(2)3)20(5)26(22,23)18-19-14-9-7-8-10-16(14)25-18/h7-12,15H,6H2,1-5H3/b13-11-/t15-/m1/s1