ethyl 2-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H27N3O4S2 MolecularWeight: 569.69378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C

InChI

InChI=1S/C31H27N3O4S2/c1-4-38-30(37)26-23(21-13-6-5-7-14-21)18-39-28(26)33-27(35)20(3)40-31-32-24-16-10-9-15-22(24)29(36)34(31)25-17-11-8-12-19(25)2/h5-18,20H,4H2,1-3H3,(H,33,35)