methyl 4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C18H21N3O4S/c1-25-16(23)7-4-10-19-15(22)11-26-18-20-14-6-3-2-5-13(14)17(24)21(18)12-8-9-12/h2-3,5-6,12H,4,7-11H2,1H3,(H,19,22)