ethyl 4,5-dimethyl-2-[2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H25N3O3S2 MolecularWeight: 527.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S2/c1-4-35-29(34)24-17(2)18(3)37-28(24)30-23(33)16-36-27-22-15-14-19-10-8-9-13-21(19)25(22)31-26(32-27)20-11-6-5-7-12-20/h5-15H,4,16H2,1-3H3,(H,30,33)