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

Systemtic Name: ethyl 6-ethyl-2-[2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[2-[4-(2-naphthyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-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 6-ethyl-2-[[2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC=CC(=N3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC=CC(=N3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H29N3O3S2/c1-3-18-9-12-22-24(15-18)37-27(26(22)28(34)35-4-2)32-25(33)17-36-29-30-14-13-23(31-29)21-11-10-19-7-5-6-8-20(19)16-21/h5-8,10-11,13-14,16,18H,3-4,9,12,15,17H2,1-2H3,(H,32,33)