[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H23N3O5S2/c1-17-9-10-22-23(13-17)35-26(27-22)28-24(30)16-34-25(31)19-7-4-8-21(14-19)36(32,33)29-12-11-18-5-2-3-6-20(18)15-29/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,28,30)