methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(3-ketobenzo[f]chromene-2-carbonyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C29H21NO7S MolecularWeight: 527.54454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H21NO7S/c1-15-24(12-16-7-9-22-23(11-16)36-14-35-22)38-27(25(15)29(33)34-2)30-26(31)20-13-19-18-6-4-3-5-17(18)8-10-21(19)37-28(20)32/h3-11,13H,12,14H2,1-2H3,(H,30,31)