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

Systemtic Name: ethyl 2-[2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-naphthyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2-naphthalenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O3S2 MolecularWeight: 503.6357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC(=N3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC(=N3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O3S2/c1-2-33-26(32)24-20-9-5-6-10-22(20)35-25(24)30-23(31)16-34-27-28-14-13-21(29-27)19-12-11-17-7-3-4-8-18(17)15-19/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,30,31)