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

Systemtic Name: ethyl 2-[2-(6-ethoxy-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-ethoxy-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-ethoxy-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-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-ethoxy-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H29N3O4S2 MolecularWeight: 547.68826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S2/c1-3-35-19-14-15-22-21(16-19)27(32-26(30-22)18-10-6-5-7-11-18)37-17-24(33)31-28-25(29(34)36-4-2)20-12-8-9-13-23(20)38-28/h5-7,10-11,14-16H,3-4,8-9,12-13,17H2,1-2H3,(H,31,33)