[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C25H19NO5S MolecularWeight: 445.48706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H19NO5S/c27-21(15-31-22(28)13-14-32-16-7-2-1-3-8-16)26-20-12-6-11-19-23(20)25(30)18-10-5-4-9-17(18)24(19)29/h1-12H,13-15H2,(H,26,27)