2-ethanimidoyl-1-ethoxy-3-oxidanylidene-4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-but-1-en-1-olate

Systemtic Name: 2-ethanimidoyl-1-ethoxy-3-oxidanylidene-4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-but-1-en-1-olate Openeye Name: 4-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: 1-ethoxy-2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-1-buten-1-olate IUPAC Name: 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-2-ethanimidoyl-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: 2-acetimidoyl-4-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-1-ethoxy-3-keto-but-1-en-1-olate Formula: C23H22N3O4S- MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=N)C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=C(C(=N)C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H23N3O4S/c1-3-30-22(29)20(15(2)24)19(27)14-31-23-25-18-12-8-7-11-17(18)21(28)26(23)13-16-9-5-4-6-10-16/h4-12,24,29H,3,13-14H2,1-2H3/p-1