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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(2-methylindolin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(2-methylindolin-1-yl)acetyl]amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4C(CC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4C(CC5=CC=CC=C54)C

InChI

InChI=1S/C27H28N2O5S/c1-4-32-27(31)25-17(3)23(13-18-9-10-21-22(12-18)34-15-33-21)35-26(25)28-24(30)14-29-16(2)11-19-7-5-6-8-20(19)29/h5-10,12,16H,4,11,13-15H2,1-3H3,(H,28,30)