(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H25N3O4S/c1-2-3-10-17-30-27(33)20-12-5-4-11-19(20)26(29-30)28(34)35-18-25(32)31-21-13-6-8-15-23(21)36-24-16-9-7-14-22(24)31/h4-9,11-16H,2-3,10,17-18H2,1H3