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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-naphthalen-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(1-naphthyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(1-naphthyl)acetyl]amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H25NO5S MolecularWeight: 487.5668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H25NO5S/c1-3-32-28(31)26-17(2)24(14-18-11-12-22-23(13-18)34-16-33-22)35-27(26)29-25(30)15-20-9-6-8-19-7-4-5-10-21(19)20/h4-13H,3,14-16H2,1-2H3,(H,29,30)