ethyl 2-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H27N3O4S2 MolecularWeight: 569.69378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OCC

InChI

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