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

Systemtic Name: methyl 4-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-23-19(26)15-10-13-6-3-4-7-14(13)11-16(15)22-20(23)28-12-17(24)21-9-5-8-18(25)27-2/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,21,24)