methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-[2-(4-morpholinyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(6-carbethoxy-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C28H31N3O8S MolecularWeight: 569.62604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCN5CCOCC5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCN5CCOCC5)OCOC2

InChI

InChI=1S/C28H31N3O8S/c1-3-38-27(34)19-12-20-15-37-17-39-24(20)21(13-19)16-40-28-29-23-14-18(26(33)35-2)4-5-22(23)25(32)31(28)7-6-30-8-10-36-11-9-30/h4-5,12-14H,3,6-11,15-17H2,1-2H3