methyl 2-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: methyl 2-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)C5=CC=CC=C5CC4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=C(C4=C(S3)C5=CC=CC=C5CC4)C(=O)OC

InChI

InChI=1S/C27H25N3O4S2/c1-3-30-25(32)18-10-6-7-11-20(18)28-27(30)35-15-14-21(31)29-24-22(26(33)34-2)19-13-12-16-8-4-5-9-17(16)23(19)36-24/h4-11H,3,12-15H2,1-2H3,(H,29,31)