ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: ethyl 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxylic acid ethyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O5S/c1-2-33-24(30)19-11-12-21-22(14-19)26-25(27(23(21)29)15-17-7-4-3-5-8-17)34-16-18-9-6-10-20(13-18)28(31)32/h3-14H,2,15-16H2,1H3