1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C25H22N2O5S2/c1-31-21-13-12-18(25(28)32-16-24-26-19-9-3-5-11-22(19)33-24)15-23(21)34(29,30)27-14-6-8-17-7-2-4-10-20(17)27/h2-5,7,9-13,15H,6,8,14,16H2,1H3