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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C

InChI

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