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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-morpholinosulfonylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C26H26N2O8S2 MolecularWeight: 558.62324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O8S2/c1-16-22(14-17-3-8-20-21(13-17)36-15-35-20)37-25(23(16)26(30)33-2)27-24(29)18-4-6-19(7-5-18)38(31,32)28-9-11-34-12-10-28/h3-8,13H,9-12,14-15H2,1-2H3,(H,27,29)