(2-cyclohexyl-2-oxidanylidene-ethyl) 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O4S/c27-24-23(25-28-19-8-4-5-9-22(19)34-25)20(30)14-29(24)18-12-10-17(11-13-18)26(32)33-15-21(31)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15,27H2