ethyl 8-[[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[7-(4-carbamoylpiperidine-1-carbonyl)-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[7-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[7-(4-carbamoylpiperidine-1-carbonyl)-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[7-(4-carbamoylpiperidine-1-carbonyl)-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C32H32N4O8S MolecularWeight: 632.68348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C(=O)N)C(=O)N3CC6=CC=CO6)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C(=O)N)C(=O)N3CC6=CC=CO6)OCOC2

InChI

InChI=1S/C32H32N4O8S/c1-2-42-31(40)21-12-22-16-41-18-44-27(22)23(13-21)17-45-32-34-26-14-20(29(38)35-9-7-19(8-10-35)28(33)37)5-6-25(26)30(39)36(32)15-24-4-3-11-43-24/h3-6,11-14,19H,2,7-10,15-18H2,1H3,(H2,33,37)