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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H28N2O7S2/c1-3-34-27(31)24-17(2)23(15-18-6-11-21-22(14-18)36-16-35-21)37-26(24)28-25(30)19-7-9-20(10-8-19)38(32,33)29-12-4-5-13-29/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,28,30)