ethyl 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H25N3O3S2 MolecularWeight: 551.6785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3S2/c1-2-37-30(36)28-24(21-12-6-3-7-13-21)19-38-29(28)34-27(35)20-39-31-32-25(22-14-8-4-9-15-22)18-26(33-31)23-16-10-5-11-17-23/h3-19H,2,20H2,1H3,(H,34,35)