4-ethyl-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 4-ethyl-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 4-ethyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 4-ethyl-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 4-ethyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 4-ethyl-2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC2=C1C(=C(S2)NC(=O)CSC3=NC=CC(=N3)C)C(=O)O

Isomeric SMILES

CCC1CCCC2=C1C(=C(S2)NC(=O)CSC3=NC=CC(=N3)C)C(=O)O

InChI

InChI=1S/C18H21N3O3S2/c1-3-11-5-4-6-12-14(11)15(17(23)24)16(26-12)21-13(22)9-25-18-19-8-7-10(2)20-18/h7-8,11H,3-6,9H2,1-2H3,(H,21,22)(H,23,24)