ethyl 5-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate CAS Name: 4-[anilino(oxo)methyl]-5-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-[[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C33H28N4O4S2 MolecularWeight: 608.72982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C

InChI

InChI=1S/C33H28N4O4S2/c1-3-41-32(40)29-21(2)28(30(39)34-24-17-11-6-12-18-24)31(43-29)37-27(38)20-42-33-35-25(22-13-7-4-8-14-22)19-26(36-33)23-15-9-5-10-16-23/h4-19H,3,20H2,1-2H3,(H,34,39)(H,37,38)