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

Systemtic Name: methyl 3-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C24H25N3O4S/c1-15-11-12-16(23(30)31-2)13-20(15)25-21(28)14-32-24-26-19-10-6-5-9-18(19)22(29)27(24)17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,25,28)