ethyl 3-methyl-5-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(3-ketobenzo[f]chromene-2-carbonyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C23H16N2O5S2 MolecularWeight: 464.51354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)SC#N)C

InChI

InChI=1S/C23H16N2O5S2/c1-3-29-23(28)19-12(2)18(31-11-24)21(32-19)25-20(26)16-10-15-14-7-5-4-6-13(14)8-9-17(15)30-22(16)27/h4-10H,3H2,1-2H3,(H,25,26)