ethyl 2-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S3/c1-2-27-20(26)18-13-6-3-4-7-15(13)30-19(18)24-17(25)12-29-21-22-10-9-14(23-21)16-8-5-11-28-16/h5,8-11H,2-4,6-7,12H2,1H3,(H,24,25)