ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C27H22N2O4S2/c1-3-32-26(30)19-14-24(16-9-5-4-6-10-16)35-25(19)29-27(34)28-20-15-22-18(13-23(20)31-2)17-11-7-8-12-21(17)33-22/h4-15H,3H2,1-2H3,(H2,28,29,34)