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

Systemtic Name: methyl 3-methyl-2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]pentanoate Traditional Name: 2-[[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C

InChI

InChI=1S/C18H23N3O4S/c1-5-11(2)15(17(24)25-4)20-14(22)10-26-18-19-13-9-7-6-8-12(13)16(23)21(18)3/h6-9,11,15H,5,10H2,1-4H3,(H,20,22)