[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C32H24N2O5S MolecularWeight: 548.60836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)CCN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)CCN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C32H24N2O5S/c1-19(32(38)33-20-14-15-23-24(18-20)31(37)22-9-3-2-8-21(22)30(23)36)39-29(35)16-17-34-25-10-4-6-12-27(25)40-28-13-7-5-11-26(28)34/h2-15,18-19H,16-17H2,1H3,(H,33,38)