ethyl 2-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC(=CC(=O)N3)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C18H21N3O5S2/c1-2-26-17(25)15-10-5-3-4-6-11(10)28-16(15)19-12(22)7-8-27-18-20-13(23)9-14(24)21-18/h9H,2-8H2,1H3,(H,19,22)(H2,20,21,23,24)