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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-ketochromene-2-carbonyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21NO7S MolecularWeight: 491.51244

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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(=O)C5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C26H21NO7S/c1-3-31-26(30)23-14(2)22(11-15-8-9-19-20(10-15)33-13-32-19)35-25(23)27-24(29)21-12-17(28)16-6-4-5-7-18(16)34-21/h4-10,12H,3,11,13H2,1-2H3,(H,27,29)