(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C(=O)N2CC1

InChI

InChI=1S/C28H23N3O4S/c32-26(31-21-8-3-5-10-23(21)36-24-11-6-4-9-22(24)31)17-35-28(34)18-13-14-19-20(16-18)29-25-12-2-1-7-15-30(25)27(19)33/h3-6,8-11,13-14,16H,1-2,7,12,15,17H2