propan-2-yl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC(C)C

InChI

InChI=1S/C27H21N3O5S/c1-14(2)35-27(32)24-15(3)19(12-28)26(36-24)30-25(31)18-11-21(29-20-7-5-4-6-17(18)20)16-8-9-22-23(10-16)34-13-33-22/h4-11,14H,13H2,1-3H3,(H,30,31)