ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-3-fluoro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-3-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-fluoro-phenyl)thiocarbamoylamino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20ClFN2O4S2 MolecularWeight: 506.997303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C23H20ClFN2O4S2/c1-3-29-22(28)20-15(8-13-4-7-18-19(9-13)31-11-30-18)12(2)33-21(20)27-23(32)26-14-5-6-16(24)17(25)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H2,26,27,32)