diethyl 5-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(9,10-dioxo-1-anthryl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H22N2O6S2 MolecularWeight: 522.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H22N2O6S2/c1-4-33-24(31)18-13(3)22(25(32)34-5-2)36-23(18)28-26(35)27-17-12-8-11-16-19(17)21(30)15-10-7-6-9-14(15)20(16)29/h6-12H,4-5H2,1-3H3,(H2,27,28,35)