ethyl 7-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 7-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 7-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 7-[[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 7-[[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C29H26N2O7S MolecularWeight: 546.59094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1CSC3=NC4=CC=CC=C4C(=O)N3CC5COC6=CC=CC=C6O5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1CSC3=NC4=CC=CC=C4C(=O)N3CC5COC6=CC=CC=C6O5)OCOC2

InChI

InChI=1S/C29H26N2O7S/c1-2-35-28(33)22-11-18-14-34-17-37-26(18)12-19(22)16-39-29-30-23-8-4-3-7-21(23)27(32)31(29)13-20-15-36-24-9-5-6-10-25(24)38-20/h3-12,20H,2,13-17H2,1H3