ethyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H29N3O3S2/c1-4-32-25(31)23-20-11-10-19(18-8-6-5-7-9-18)15-21(20)34-24(23)29-22(30)12-13-33-26-27-16(2)14-17(3)28-26/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,29,30)