ethyl 3-azanyl-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]but-2-enoate

Systemtic Name: ethyl 3-azanyl-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]but-2-enoate Openeye Name: ethyl 3-amino-2-[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]but-2-enoate CAS Name: 3-amino-2-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-amino-2-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]but-2-enoate Traditional Name: 3-amino-2-[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]but-2-enoic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-12H,3,13-14,24H2,1-2H3