ethyl 2-[2-(8-methyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(8-methyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(8-methyl-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(8-methyl-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(8-methyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(8-methyl-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O3S2 MolecularWeight: 517.66228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC4=C3C=CC=C4C)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S2/c1-3-34-28(33)23-19-13-7-8-15-21(19)36-27(23)29-22(32)16-35-26-20-14-9-10-17(2)24(20)30-25(31-26)18-11-5-4-6-12-18/h4-6,9-12,14H,3,7-8,13,15-16H2,1-2H3,(H,29,32)