2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-benzyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-benzyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-benzyl-4-keto-quinazoline-7-carboxylate Formula: C26H21N2O5S- MolecularWeight: 473.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O5S/c1-16(29)18-9-11-23(33-2)20(12-18)15-34-26-27-22-13-19(25(31)32)8-10-21(22)24(30)28(26)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,31,32)/p-1