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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-5-methyl-4-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(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

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