ethyl N-[4-[[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[2-oxo-4-[[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]chromen-7-yl]carbamate CAS Name: N-[4-[[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)NC(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)NC(=O)OCC

InChI

InChI=1S/C31H29N3O5S/c1-4-19(3)20-10-13-23(14-11-20)34-29(36)25-8-6-7-9-26(25)33-30(34)40-18-21-16-28(35)39-27-17-22(12-15-24(21)27)32-31(37)38-5-2/h6-17,19H,4-5,18H2,1-3H3,(H,32,37)