(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC6=CC=CC=C65

InChI

InChI=1S/C27H25N3O4S2/c31-26(34-21-11-14-23-25(18-21)35-27(28-23)29-15-3-4-16-29)20-9-12-22(13-10-20)36(32,33)30-17-5-7-19-6-1-2-8-24(19)30/h1-2,6,8-14,18H,3-5,7,15-17H2