[1-azanyl-12-(4-chlorophenyl)-5-oxidanylidene-2-phenyl-3-sulfanylidene-chromeno[4,3-h]quinazolin-8-yl] ethanoate

Systemtic Name: [1-azanyl-12-(4-chlorophenyl)-5-oxidanylidene-2-phenyl-3-sulfanylidene-chromeno[4,3-h]quinazolin-8-yl] ethanoate Openeye Name: [1-amino-12-(4-chlorophenyl)-5-oxo-2-phenyl-3-thioxo-chromeno[4,3-h]quinazolin-8-yl] acetate CAS Name: acetic acid [1-amino-12-(4-chlorophenyl)-5-oxo-2-phenyl-3-sulfanylidene-8-[1]benzopyrano[4,3-h]quinazolinyl] ester IUPAC Name: [1-amino-12-(4-chlorophenyl)-5-oxo-2-phenyl-3-sulfanylidenechromeno[4,3-h]quinazolin-8-yl] acetate Traditional Name: acetic acid [1-amino-12-(4-chlorophenyl)-5-keto-2-phenyl-3-thioxo-chromeno[4,3-h]quinazolin-8-yl] ester Formula: C29H18ClN3O4S MolecularWeight: 539.98892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3=C(C4=NC(=S)N(C(=C4C(=C3)C5=CC=C(C=C5)Cl)N)C6=CC=CC=C6)C(=O)O2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3=C(C4=NC(=S)N(C(=C4C(=C3)C5=CC=C(C=C5)Cl)N)C6=CC=CC=C6)C(=O)O2

InChI

InChI=1S/C29H18ClN3O4S/c1-15(34)36-19-11-12-20-22-14-21(16-7-9-17(30)10-8-16)24-26(25(22)28(35)37-23(20)13-19)32-29(38)33(27(24)31)18-5-3-2-4-6-18/h2-14H,31H2,1H3