ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O8S2 MolecularWeight: 572.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H28N2O8S2/c1-3-35-27(31)24-21(14-18-4-9-22-23(15-18)37-16-36-22)17(2)38-26(24)28-25(30)19-5-7-20(8-6-19)39(32,33)29-10-12-34-13-11-29/h4-9,15H,3,10-14,16H2,1-2H3,(H,28,30)