ethyl 2-[4-[[4-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[4-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-3-nitro-phenyl]methyleneamino]phenyl]acetate CAS Name: 2-[4-[[4-[(3-methyl-4-oxo-2-quinazolinyl)thio]-3-nitrophenyl]methylideneamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]phenyl]acetate Traditional Name: 2-[4-[[4-[(4-keto-3-methyl-quinazolin-2-yl)thio]-3-nitro-benzylidene]amino]phenyl]acetic acid ethyl ester Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4C(=O)N3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4C(=O)N3C)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O5S/c1-3-35-24(31)15-17-8-11-19(12-9-17)27-16-18-10-13-23(22(14-18)30(33)34)36-26-28-21-7-5-4-6-20(21)25(32)29(26)2/h4-14,16H,3,15H2,1-2H3