ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalen-1-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalen-1-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(1-naphthoylamino)-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H23NO5S MolecularWeight: 473.54022

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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=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23NO5S/c1-3-31-27(30)24-16(2)23(14-17-11-12-21-22(13-17)33-15-32-21)34-26(24)28-25(29)20-10-6-8-18-7-4-5-9-19(18)20/h4-13H,3,14-15H2,1-2H3,(H,28,29)