ethyl 2-[2-(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-[[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2-[[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N

InChI

InChI=1S/C26H30N4O4S/c1-4-34-26(33)23-16(2)17(3)30(14-20-10-7-11-35-20)25(23)28-22(31)15-29-13-19-9-6-5-8-18(19)12-21(29)24(27)32/h5-11,21H,4,12-15H2,1-3H3,(H2,27,32)(H,28,31)