ethyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H20N2O4S2 MolecularWeight: 512.5994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H20N2O4S2/c1-2-34-27(33)20-15-22(16-9-4-3-5-10-16)36-26(20)30-28(35)29-21-14-8-13-19-23(21)25(32)18-12-7-6-11-17(18)24(19)31/h3-15H,2H2,1H3,(H2,29,30,35)