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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H26N2O5S2 MolecularWeight: 546.65714

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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)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O5S2/c1-3-33-28(32)26-23(15-19-9-14-24-25(16-19)35-17-34-24)18(2)38-27(26)31-29(37)30-20-10-12-22(13-11-20)36-21-7-5-4-6-8-21/h4-14,16H,3,15,17H2,1-2H3,(H2,30,31,37)