(2-ethyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)Cl

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H21ClN2O4S2/c1-2-21-24-16(14-30-21)13-29-22(26)18-12-17(9-10-19(18)23)31(27,28)25-11-5-7-15-6-3-4-8-20(15)25/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3