2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C19H23ClN2O5S2 MolecularWeight: 458.97932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23ClN2O5S2/c1-14-13-28-19(24)22(14)10-11-27-18(23)15-6-7-16(20)17(12-15)29(25,26)21-8-4-2-3-5-9-21/h6-7,12-13H,2-5,8-11H2,1H3