ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-(3-methylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-(3-methylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(3-methylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-[(3-methylphenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(3-methylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(2-m-toluoyloxyacetyl)amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO7S/c1-4-31-26(30)23-16(3)21(12-17-8-9-19-20(11-17)34-14-33-19)35-24(23)27-22(28)13-32-25(29)18-7-5-6-15(2)10-18/h5-11H,4,12-14H2,1-3H3,(H,27,28)